[2-(2-methylpropylamino)-2-oxidanylidene-ethyl] 3-[[(1R)-1-phenylethyl]sulfamoyl]benzoate

Systemtic Name: [2-(2-methylpropylamino)-2-oxidanylidene-ethyl] 3-[[(1R)-1-phenylethyl]sulfamoyl]benzoate Openeye Name: [2-(isobutylamino)-2-oxo-ethyl] 3-[[(1R)-1-phenylethyl]sulfamoyl]benzoate CAS Name: 3-[[(1R)-1-phenylethyl]sulfamoyl]benzoic acid [2-(2-methylpropylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylamino)-2-oxoethyl] 3-[[(1R)-1-phenylethyl]sulfamoyl]benzoate Traditional Name: 3-[[(1R)-1-phenylethyl]sulfamoyl]benzoic 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)C1=CC(=CC=C1)S(=O)(=O)NC(C)C2=CC=CC=C2

Isomeric SMILES

C[C@H](C1=CC=CC=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NCC(C)C

InChI

InChI=1S/C21H26N2O5S/c1-15(2)13-22-20(24)14-28-21(25)18-10-7-11-19(12-18)29(26,27)23-16(3)17-8-5-4-6-9-17/h4-12,15-16,23H,13-14H2,1-3H3,(H,22,24)/t16-/m1/s1