N-[4-[[4-(dimethylamino)-4-oxidanylidene-1-phenylsulfanyl-butan-2-yl]amino]-3-nitro-phenyl]sulfonyl-4-[2-methoxy-4-[3-[2-(2-methoxyethoxy)ethylamino]-3-oxidanylidene-propyl]phenyl]benzamide

Systemtic Name: N-[4-[[4-(dimethylamino)-4-oxidanylidene-1-phenylsulfanyl-butan-2-yl]amino]-3-nitro-phenyl]sulfonyl-4-[2-methoxy-4-[3-[2-(2-methoxyethoxy)ethylamino]-3-oxidanylidene-propyl]phenyl]benzamide Openeye Name: N-[4-[[3-(dimethylamino)-3-oxo-1-(phenylsulfanylmethyl)propyl]amino]-3-nitro-phenyl]sulfonyl-4-[2-methoxy-4-[3-[2-(2-methoxyethoxy)ethylamino]-3-oxo-propyl]phenyl]benzamide CAS Name: N-[4-[[4-(dimethylamino)-4-oxo-1-(phenylthio)butan-2-yl]amino]-3-nitrophenyl]sulfonyl-4-[2-methoxy-4-[3-[2-(2-methoxyethoxy)ethylamino]-3-oxopropyl]phenyl]benzamide IUPAC Name: N-[4-[[4-(dimethylamino)-4-oxo-1-phenylsulfanylbutan-2-yl]amino]-3-nitrophenyl]sulfonyl-4-[2-methoxy-4-[3-[2-(2-methoxyethoxy)ethylamino]-3-oxopropyl]phenyl]benzamide Traditional Name: N-[4-[[3-(dimethylamino)-3-keto-1-[(phenylthio)methyl]propyl]amino]-3-nitro-phenyl]sulfonyl-4-[4-[3-keto-3-[2-(2-methoxyethoxy)ethylamino]propyl]-2-methoxy-phenyl]benzamide Formula: C40H47N5O10S2 MolecularWeight: 821.95868

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CC(CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)C4=C(C=C(C=C4)CCC(=O)NCCOCCOC)OC)[N+](=O)[O-]

Isomeric SMILES

CN(C)C(=O)CC(CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)C4=C(C=C(C=C4)CCC(=O)NCCOCCOC)OC)[N+](=O)[O-]

InChI

InChI=1S/C40H47N5O10S2/c1-44(2)39(47)25-31(27-56-32-8-6-5-7-9-32)42-35-18-16-33(26-36(35)45(49)50)57(51,52)43-40(48)30-14-12-29(13-15-30)34-17-10-28(24-37(34)54-4)11-19-38(46)41-20-21-55-23-22-53-3/h5-10,12-18,24,26,31,42H,11,19-23,25,27H2,1-4H3,(H,41,46)(H,43,48)