N-[4-[[6-(dimethylamino)-1-phenylsulfanyl-hexan-2-yl]amino]-3-nitro-phenyl]sulfonyl-4-(4,4-dimethylcyclohexyl)piperazine-1-carboxamide

Systemtic Name: N-[4-[[6-(dimethylamino)-1-phenylsulfanyl-hexan-2-yl]amino]-3-nitro-phenyl]sulfonyl-4-(4,4-dimethylcyclohexyl)piperazine-1-carboxamide Openeye Name: N-[4-[[5-(dimethylamino)-1-(phenylsulfanylmethyl)pentyl]amino]-3-nitro-phenyl]sulfonyl-4-(4,4-dimethylcyclohexyl)piperazine-1-carboxamide CAS Name: N-[4-[[6-(dimethylamino)-1-(phenylthio)hexan-2-yl]amino]-3-nitrophenyl]sulfonyl-4-(4,4-dimethylcyclohexyl)-1-piperazinecarboxamide IUPAC Name: N-[4-[[6-(dimethylamino)-1-phenylsulfanylhexan-2-yl]amino]-3-nitrophenyl]sulfonyl-4-(4,4-dimethylcyclohexyl)piperazine-1-carboxamide Traditional Name: N-[4-[[5-(dimethylamino)-1-[(phenylthio)methyl]pentyl]amino]-3-nitro-phenyl]sulfonyl-4-(4,4-dimethylcyclohexyl)piperazine-1-carboxamide Formula: C33H50N6O5S2 MolecularWeight: 674.9173

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(CC1)N2CCN(CC2)C(=O)NS(=O)(=O)C3=CC(=C(C=C3)NC(CCCCN(C)C)CSC4=CC=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1(CCC(CC1)N2CCN(CC2)C(=O)NS(=O)(=O)C3=CC(=C(C=C3)NC(CCCCN(C)C)CSC4=CC=CC=C4)[N+](=O)[O-])C

InChI

InChI=1S/C33H50N6O5S2/c1-33(2)17-15-27(16-18-33)37-20-22-38(23-21-37)32(40)35-46(43,44)29-13-14-30(31(24-29)39(41)42)34-26(10-8-9-19-36(3)4)25-45-28-11-6-5-7-12-28/h5-7,11-14,24,26-27,34H,8-10,15-23,25H2,1-4H3,(H,35,40)