(phenylmethyl) 2-[[4-chloranyl-2-(phenylcarbonyl)cyclohexyl]-(3,4-dimethoxyphenyl)sulfonyl-amino]ethanoate

Systemtic Name: (phenylmethyl) 2-[[4-chloranyl-2-(phenylcarbonyl)cyclohexyl]-(3,4-dimethoxyphenyl)sulfonyl-amino]ethanoate Openeye Name: benzyl 2-[(2-benzoyl-4-chloro-cyclohexyl)-(3,4-dimethoxyphenyl)sulfonyl-amino]acetate CAS Name: 2-[(2-benzoyl-4-chlorocyclohexyl)-(3,4-dimethoxyphenyl)sulfonylamino]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(2-benzoyl-4-chlorocyclohexyl)-(3,4-dimethoxyphenyl)sulfonylamino]acetate Traditional Name: 2-[(2-benzoyl-4-chloro-cyclohexyl)-(3,4-dimethoxyphenyl)sulfonyl-amino]acetic acid benzyl ester Formula: C30H32ClNO7S MolecularWeight: 586.09558

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N(CC(=O)OCC2=CC=CC=C2)C3CCC(CC3C(=O)C4=CC=CC=C4)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N(CC(=O)OCC2=CC=CC=C2)C3CCC(CC3C(=O)C4=CC=CC=C4)Cl)OC

InChI

InChI=1S/C30H32ClNO7S/c1-37-27-16-14-24(18-28(27)38-2)40(35,36)32(19-29(33)39-20-21-9-5-3-6-10-21)26-15-13-23(31)17-25(26)30(34)22-11-7-4-8-12-22/h3-12,14,16,18,23,25-26H,13,15,17,19-20H2,1-2H3