[(1S)-1-phenyl-2-(phenylsulfonylamino)ethyl] 2-(4-methylphenyl)carbonylbenzoate

Systemtic Name: [(1S)-1-phenyl-2-(phenylsulfonylamino)ethyl] 2-(4-methylphenyl)carbonylbenzoate Openeye Name: [(1S)-2-(benzenesulfonamido)-1-phenyl-ethyl] 2-(4-methylbenzoyl)benzoate CAS Name: 2-[(4-methylphenyl)-oxomethyl]benzoic acid [(1S)-2-(benzenesulfonamido)-1-phenylethyl] ester IUPAC Name: [(1S)-2-(benzenesulfonamido)-1-phenylethyl] 2-(4-methylbenzoyl)benzoate Traditional Name: 2-p-toluoylbenzoic acid [(1S)-2-(benzenesulfonamido)-1-phenyl-ethyl] ester Formula: C29H25NO5S MolecularWeight: 499.5775

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OC(CNS(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)O[C@H](CNS(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C29H25NO5S/c1-21-16-18-23(19-17-21)28(31)25-14-8-9-15-26(25)29(32)35-27(22-10-4-2-5-11-22)20-30-36(33,34)24-12-6-3-7-13-24/h2-19,27,30H,20H2,1H3/t27-/m1/s1