N-[4-[[4-(dimethylamino)-1-phenylsulfanyl-butan-2-yl]amino]-3-nitro-phenyl]sulfonyl-4-[2-methoxy-4-(3-morpholin-4-ylpropyl)phenyl]piperidine-1-carboxamide

Systemtic Name: N-[4-[[4-(dimethylamino)-1-phenylsulfanyl-butan-2-yl]amino]-3-nitro-phenyl]sulfonyl-4-[2-methoxy-4-(3-morpholin-4-ylpropyl)phenyl]piperidine-1-carboxamide Openeye Name: N-[4-[[3-(dimethylamino)-1-(phenylsulfanylmethyl)propyl]amino]-3-nitro-phenyl]sulfonyl-4-[2-methoxy-4-(3-morpholinopropyl)phenyl]piperidine-1-carboxamide CAS Name: N-[4-[[4-(dimethylamino)-1-(phenylthio)butan-2-yl]amino]-3-nitrophenyl]sulfonyl-4-[2-methoxy-4-[3-(4-morpholinyl)propyl]phenyl]-1-piperidinecarboxamide IUPAC Name: N-[4-[[4-(dimethylamino)-1-phenylsulfanylbutan-2-yl]amino]-3-nitrophenyl]sulfonyl-4-[2-methoxy-4-(3-morpholin-4-ylpropyl)phenyl]piperidine-1-carboxamide Traditional Name: N-[4-[[3-(dimethylamino)-1-[(phenylthio)methyl]propyl]amino]-3-nitro-phenyl]sulfonyl-4-[2-methoxy-4-(3-morpholinopropyl)phenyl]piperidine-1-carboxamide Formula: C38H52N6O7S2 MolecularWeight: 768.98548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC(CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)N3CCC(CC3)C4=C(C=C(C=C4)CCCN5CCOCC5)OC)[N+](=O)[O-]

Isomeric SMILES

CN(C)CCC(CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)N3CCC(CC3)C4=C(C=C(C=C4)CCCN5CCOCC5)OC)[N+](=O)[O-]

InChI

InChI=1S/C38H52N6O7S2/c1-41(2)19-17-31(28-52-32-9-5-4-6-10-32)39-35-14-12-33(27-36(35)44(46)47)53(48,49)40-38(45)43-20-15-30(16-21-43)34-13-11-29(26-37(34)50-3)8-7-18-42-22-24-51-25-23-42/h4-6,9-14,26-27,30-31,39H,7-8,15-25,28H2,1-3H3,(H,40,45)