[2-(2-methylpropylamino)-2-oxidanylidene-ethyl] 2-[(phenylmethyl)-(phenylsulfonyl)amino]ethanoate

Systemtic Name: [2-(2-methylpropylamino)-2-oxidanylidene-ethyl] 2-[(phenylmethyl)-(phenylsulfonyl)amino]ethanoate Openeye Name: [2-(isobutylamino)-2-oxo-ethyl] 2-[benzenesulfonyl(benzyl)amino]acetate CAS Name: 2-[benzenesulfonyl-(phenylmethyl)amino]acetic acid [2-(2-methylpropylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylamino)-2-oxoethyl] 2-[benzenesulfonyl(benzyl)amino]acetate Traditional Name: 2-[benzyl(besyl)amino]acetic acid [2-(isobutylamino)-2-keto-ethyl] ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)COC(=O)CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)CNC(=O)COC(=O)CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H26N2O5S/c1-17(2)13-22-20(24)16-28-21(25)15-23(14-18-9-5-3-6-10-18)29(26,27)19-11-7-4-8-12-19/h3-12,17H,13-16H2,1-2H3,(H,22,24)