N-[4-[[4-(dimethylamino)-1-phenylsulfanyl-butan-2-yl]amino]-3-nitro-phenyl]sulfonyl-4-(4-nitrophenyl)piperazine-1-carboxamide

Systemtic Name: N-[4-[[4-(dimethylamino)-1-phenylsulfanyl-butan-2-yl]amino]-3-nitro-phenyl]sulfonyl-4-(4-nitrophenyl)piperazine-1-carboxamide Openeye Name: N-[4-[[3-(dimethylamino)-1-(phenylsulfanylmethyl)propyl]amino]-3-nitro-phenyl]sulfonyl-4-(4-nitrophenyl)piperazine-1-carboxamide CAS Name: N-[4-[[4-(dimethylamino)-1-(phenylthio)butan-2-yl]amino]-3-nitrophenyl]sulfonyl-4-(4-nitrophenyl)-1-piperazinecarboxamide IUPAC Name: N-[4-[[4-(dimethylamino)-1-phenylsulfanylbutan-2-yl]amino]-3-nitrophenyl]sulfonyl-4-(4-nitrophenyl)piperazine-1-carboxamide Traditional Name: N-[4-[[3-(dimethylamino)-1-[(phenylthio)methyl]propyl]amino]-3-nitro-phenyl]sulfonyl-4-(4-nitrophenyl)piperazine-1-carboxamide Formula: C29H35N7O7S2 MolecularWeight: 657.7609

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC(CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CN(C)CCC(CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C29H35N7O7S2/c1-32(2)15-14-22(21-44-25-6-4-3-5-7-25)30-27-13-12-26(20-28(27)36(40)41)45(42,43)31-29(37)34-18-16-33(17-19-34)23-8-10-24(11-9-23)35(38)39/h3-13,20,22,30H,14-19,21H2,1-2H3,(H,31,37)