[(1S,4S)-4-[(4-methylphenyl)sulfonylamino]-3-phenyl-cyclohex-2-en-1-yl] ethanoate

Systemtic Name: [(1S,4S)-4-[(4-methylphenyl)sulfonylamino]-3-phenyl-cyclohex-2-en-1-yl] ethanoate Openeye Name: [(1S,4S)-3-phenyl-4-(p-tolylsulfonylamino)cyclohex-2-en-1-yl] acetate CAS Name: acetic acid [(1S,4S)-4-[(4-methylphenyl)sulfonylamino]-3-phenyl-1-cyclohex-2-enyl] ester IUPAC Name: [(1S,4S)-4-[(4-methylphenyl)sulfonylamino]-3-phenylcyclohex-2-en-1-yl] acetate Traditional Name: acetic acid [(1S,4S)-3-phenyl-4-(tosylamino)cyclohex-2-en-1-yl] ester Formula: C21H23NO4S MolecularWeight: 385.47662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2CCC(C=C2C3=CC=CC=C3)OC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@H]2CC[C@@H](C=C2C3=CC=CC=C3)OC(=O)C

InChI

InChI=1S/C21H23NO4S/c1-15-8-11-19(12-9-15)27(24,25)22-21-13-10-18(26-16(2)23)14-20(21)17-6-4-3-5-7-17/h3-9,11-12,14,18,21-22H,10,13H2,1-2H3/t18-,21-/m0/s1