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

Systemtic Name: [(1S)-1-cyclopentyl-2-oxidanylidene-2-phenylazanyl-ethyl] 4-methylbenzenesulfonate Openeye Name: [(1S)-2-anilino-1-cyclopentyl-2-oxo-ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(1S)-2-anilino-1-cyclopentyl-2-oxoethyl] ester IUPAC Name: [(1S)-2-anilino-1-cyclopentyl-2-oxoethyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1S)-2-anilino-1-cyclopentyl-2-keto-ethyl] ester Formula: C20H23NO4S MolecularWeight: 373.46592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C2CCCC2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@@H](C2CCCC2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C20H23NO4S/c1-15-11-13-18(14-12-15)26(23,24)25-19(16-7-5-6-8-16)20(22)21-17-9-3-2-4-10-17/h2-4,9-14,16,19H,5-8H2,1H3,(H,21,22)/t19-/m0/s1