[(1S)-1-cyclohexyl-2-oxidanylidene-2-phenylazanyl-ethyl] 4-methylbenzenesulfonate

Systemtic Name: [(1S)-1-cyclohexyl-2-oxidanylidene-2-phenylazanyl-ethyl] 4-methylbenzenesulfonate Openeye Name: [(1S)-2-anilino-1-cyclohexyl-2-oxo-ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(1S)-2-anilino-1-cyclohexyl-2-oxoethyl] ester IUPAC Name: [(1S)-2-anilino-1-cyclohexyl-2-oxoethyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1S)-2-anilino-1-cyclohexyl-2-keto-ethyl] ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C2CCCCC2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@@H](C2CCCCC2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H25NO4S/c1-16-12-14-19(15-13-16)27(24,25)26-20(17-8-4-2-5-9-17)21(23)22-18-10-6-3-7-11-18/h3,6-7,10-15,17,20H,2,4-5,8-9H2,1H3,(H,22,23)/t20-/m0/s1