[2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl] 4-methyl-3-[(phenylmethyl)sulfamoyl]benzoate

Systemtic Name: [2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl] 4-methyl-3-[(phenylmethyl)sulfamoyl]benzoate Openeye Name: [2-[[(1S)-1-methylpropyl]amino]-2-oxo-ethyl] 3-(benzylsulfamoyl)-4-methyl-benzoate CAS Name: 4-methyl-3-[(phenylmethyl)sulfamoyl]benzoic acid [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 3-(benzylsulfamoyl)-4-methylbenzoate Traditional Name: 3-(benzylsulfamoyl)-4-methyl-benzoic acid [2-keto-2-[[(1S)-1-methylpropyl]amino]ethyl] ester Formula: C21H26N2O5S MolecularWeight: 418.50654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)COC(=O)C1=CC(=C(C=C1)C)S(=O)(=O)NCC2=CC=CC=C2

Isomeric SMILES

CC[C@H](C)NC(=O)COC(=O)C1=CC(=C(C=C1)C)S(=O)(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C21H26N2O5S/c1-4-16(3)23-20(24)14-28-21(25)18-11-10-15(2)19(12-18)29(26,27)22-13-17-8-6-5-7-9-17/h5-12,16,22H,4,13-14H2,1-3H3,(H,23,24)/t16-/m0/s1