[3-[[2-(3,4-dimethoxyphenyl)cyclohexyl]carbamoyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [3-[[2-(3,4-dimethoxyphenyl)cyclohexyl]carbamoyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [3-[[2-(3,4-dimethoxyphenyl)cyclohexyl]carbamoyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-[[[2-(3,4-dimethoxyphenyl)cyclohexyl]amino]-oxomethyl]phenyl] ester IUPAC Name: [3-[[2-(3,4-dimethoxyphenyl)cyclohexyl]carbamoyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-[[2-(3,4-dimethoxyphenyl)cyclohexyl]carbamoyl]phenyl] ester Formula: C28H31NO6S MolecularWeight: 509.61384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)C(=O)NC3CCCCC3C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)C(=O)NC3CCCCC3C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C28H31NO6S/c1-19-11-14-23(15-12-19)36(31,32)35-22-8-6-7-21(17-22)28(30)29-25-10-5-4-9-24(25)20-13-16-26(33-2)27(18-20)34-3/h6-8,11-18,24-25H,4-5,9-10H2,1-3H3,(H,29,30)