[2-[(2-methylphenyl)methylamino]-2-oxidanylidene-ethyl] 4-[[(2S)-butan-2-yl]sulfamoyl]benzoate

Systemtic Name: [2-[(2-methylphenyl)methylamino]-2-oxidanylidene-ethyl] 4-[[(2S)-butan-2-yl]sulfamoyl]benzoate Openeye Name: [2-(o-tolylmethylamino)-2-oxo-ethyl] 4-[[(1S)-1-methylpropyl]sulfamoyl]benzoate CAS Name: 4-[[(2S)-butan-2-yl]sulfamoyl]benzoic acid [2-[(2-methylphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methylphenyl)methylamino]-2-oxoethyl] 4-[[(2S)-butan-2-yl]sulfamoyl]benzoate Traditional Name: 4-[[(1S)-1-methylpropyl]sulfamoyl]benzoic acid [2-keto-2-[(2-methylbenzyl)amino]ethyl] ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NS(=O)(=O)C1=CC=C(C=C1)C(=O)OCC(=O)NCC2=CC=CC=C2C

Isomeric SMILES

CC[C@H](C)NS(=O)(=O)C1=CC=C(C=C1)C(=O)OCC(=O)NCC2=CC=CC=C2C

InChI

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