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

Systemtic Name: N-[4-[[4-(dimethylamino)-1-phenylsulfanyl-butan-2-yl]amino]-3-nitro-phenyl]sulfonyl-4-phenyl-piperazine-1-carboxamide Openeye Name: N-[4-[[3-(dimethylamino)-1-(phenylsulfanylmethyl)propyl]amino]-3-nitro-phenyl]sulfonyl-4-phenyl-piperazine-1-carboxamide CAS Name: N-[4-[[4-(dimethylamino)-1-(phenylthio)butan-2-yl]amino]-3-nitrophenyl]sulfonyl-4-phenyl-1-piperazinecarboxamide IUPAC Name: N-[4-[[4-(dimethylamino)-1-phenylsulfanylbutan-2-yl]amino]-3-nitrophenyl]sulfonyl-4-phenylpiperazine-1-carboxamide Traditional Name: N-[4-[[3-(dimethylamino)-1-[(phenylthio)methyl]propyl]amino]-3-nitro-phenyl]sulfonyl-4-phenyl-piperazine-1-carboxamide Formula: C29H36N6O5S2 MolecularWeight: 612.76334

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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=CC=C4)[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=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C29H36N6O5S2/c1-32(2)16-15-23(22-41-25-11-7-4-8-12-25)30-27-14-13-26(21-28(27)35(37)38)42(39,40)31-29(36)34-19-17-33(18-20-34)24-9-5-3-6-10-24/h3-14,21,23,30H,15-20,22H2,1-2H3,(H,31,36)