4-butyl-N-[4-[(4-butylcyclohexyl)carbonyl-(4-methoxy-3-nitro-phenyl)sulfonyl-amino]phenyl]-N-(4-methoxy-3-nitro-phenyl)sulfonyl-cyclohexane-1-carboxamide

Systemtic Name: 4-butyl-N-[4-[(4-butylcyclohexyl)carbonyl-(4-methoxy-3-nitro-phenyl)sulfonyl-amino]phenyl]-N-(4-methoxy-3-nitro-phenyl)sulfonyl-cyclohexane-1-carboxamide Openeye Name: 4-butyl-N-[4-[(4-butylcyclohexanecarbonyl)-(4-methoxy-3-nitro-phenyl)sulfonyl-amino]phenyl]-N-(4-methoxy-3-nitro-phenyl)sulfonyl-cyclohexanecarboxamide CAS Name: 4-butyl-N-[4-[[(4-butylcyclohexyl)-oxomethyl]-(4-methoxy-3-nitrophenyl)sulfonylamino]phenyl]-N-(4-methoxy-3-nitrophenyl)sulfonyl-1-cyclohexanecarboxamide IUPAC Name: 4-butyl-N-[4-[(4-butylcyclohexanecarbonyl)-(4-methoxy-3-nitrophenyl)sulfonylamino]phenyl]-N-(4-methoxy-3-nitrophenyl)sulfonylcyclohexane-1-carboxamide Traditional Name: 4-butyl-N-[4-[(4-butylcyclohexanecarbonyl)-(4-methoxy-3-nitro-phenyl)sulfonyl-amino]phenyl]-N-(4-methoxy-3-nitro-phenyl)sulfonyl-cyclohexanecarboxamide Formula: C42H54N4O12S2 MolecularWeight: 871.02776

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)C(=O)N(C2=CC=C(C=C2)N(C(=O)C3CCC(CC3)CCCC)S(=O)(=O)C4=CC(=C(C=C4)OC)[N+](=O)[O-])S(=O)(=O)C5=CC(=C(C=C5)OC)[N+](=O)[O-]

Isomeric SMILES

CCCCC1CCC(CC1)C(=O)N(C2=CC=C(C=C2)N(C(=O)C3CCC(CC3)CCCC)S(=O)(=O)C4=CC(=C(C=C4)OC)[N+](=O)[O-])S(=O)(=O)C5=CC(=C(C=C5)OC)[N+](=O)[O-]

InChI

InChI=1S/C42H54N4O12S2/c1-5-7-9-29-11-15-31(16-12-29)41(47)43(59(53,54)35-23-25-39(57-3)37(27-35)45(49)50)33-19-21-34(22-20-33)44(42(48)32-17-13-30(14-18-32)10-8-6-2)60(55,56)36-24-26-40(58-4)38(28-36)46(51)52/h19-32H,5-18H2,1-4H3