[(1R,2S)-2-phenylcyclohexyl] (3S)-4,4-dimethyl-2-methylidene-3-[(4-methylphenyl)sulfonylamino]pentanoate

Systemtic Name: [(1R,2S)-2-phenylcyclohexyl] (3S)-4,4-dimethyl-2-methylidene-3-[(4-methylphenyl)sulfonylamino]pentanoate Openeye Name: [(1R,2S)-2-phenylcyclohexyl] (3S)-4,4-dimethyl-2-methylene-3-(p-tolylsulfonylamino)pentanoate CAS Name: (3S)-4,4-dimethyl-2-methylene-3-[(4-methylphenyl)sulfonylamino]pentanoic acid [(1R,2S)-2-phenylcyclohexyl] ester IUPAC Name: [(1R,2S)-2-phenylcyclohexyl] (3S)-4,4-dimethyl-2-methylidene-3-[(4-methylphenyl)sulfonylamino]pentanoate Traditional Name: 2-[(1S)-2,2-dimethyl-1-(tosylamino)propyl]acrylic acid [(1R,2S)-2-phenylcyclohexyl] ester Formula: C27H35NO4S MolecularWeight: 469.6361

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C(=C)C(=O)OC2CCCCC2C3=CC=CC=C3)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@H](C(=C)C(=O)O[C@@H]2CCCC[C@H]2C3=CC=CC=C3)C(C)(C)C

InChI

InChI=1S/C27H35NO4S/c1-19-15-17-22(18-16-19)33(30,31)28-25(27(3,4)5)20(2)26(29)32-24-14-10-9-13-23(24)21-11-7-6-8-12-21/h6-8,11-12,15-18,23-25,28H,2,9-10,13-14H2,1,3-5H3/t23-,24+,25+/m0/s1