[4-[(4-butylcyclohexyl)carbonyl-(4-methoxy-3-nitro-phenyl)sulfonyl-amino]naphthalen-1-yl] 4-butylcyclohexane-1-carboxylate

Systemtic Name: [4-[(4-butylcyclohexyl)carbonyl-(4-methoxy-3-nitro-phenyl)sulfonyl-amino]naphthalen-1-yl] 4-butylcyclohexane-1-carboxylate Openeye Name: [4-[(4-butylcyclohexanecarbonyl)-(4-methoxy-3-nitro-phenyl)sulfonyl-amino]-1-naphthyl] 4-butylcyclohexanecarboxylate CAS Name: 4-butyl-1-cyclohexanecarboxylic acid [4-[[(4-butylcyclohexyl)-oxomethyl]-(4-methoxy-3-nitrophenyl)sulfonylamino]-1-naphthalenyl] ester IUPAC Name: [4-[(4-butylcyclohexanecarbonyl)-(4-methoxy-3-nitrophenyl)sulfonylamino]naphthalen-1-yl] 4-butylcyclohexane-1-carboxylate Traditional Name: 4-butylcyclohexanecarboxylic acid [4-[(4-butylcyclohexanecarbonyl)-(4-methoxy-3-nitro-phenyl)sulfonyl-amino]-1-naphthyl] ester Formula: C39H50N2O8S MolecularWeight: 706.8879

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)C(=O)N(C2=CC=C(C3=CC=CC=C32)OC(=O)C4CCC(CC4)CCCC)S(=O)(=O)C5=CC(=C(C=C5)OC)[N+](=O)[O-]

Isomeric SMILES

CCCCC1CCC(CC1)C(=O)N(C2=CC=C(C3=CC=CC=C32)OC(=O)C4CCC(CC4)CCCC)S(=O)(=O)C5=CC(=C(C=C5)OC)[N+](=O)[O-]

InChI

InChI=1S/C39H50N2O8S/c1-4-6-10-27-14-18-29(19-15-27)38(42)40(50(46,47)31-22-24-37(48-3)35(26-31)41(44)45)34-23-25-36(33-13-9-8-12-32(33)34)49-39(43)30-20-16-28(17-21-30)11-7-5-2/h8-9,12-13,22-30H,4-7,10-11,14-21H2,1-3H3