methyl 4-methyl-2-[[3-[(phenylmethyl)sulfamoyl]phenyl]carbonylamino]pentanoate

Systemtic Name: methyl 4-methyl-2-[[3-[(phenylmethyl)sulfamoyl]phenyl]carbonylamino]pentanoate Openeye Name: methyl 2-[[3-(benzylsulfamoyl)benzoyl]amino]-4-methyl-pentanoate CAS Name: 4-methyl-2-[[oxo-[3-[(phenylmethyl)sulfamoyl]phenyl]methyl]amino]pentanoic acid methyl ester IUPAC Name: methyl 2-[[3-(benzylsulfamoyl)benzoyl]amino]-4-methylpentanoate Traditional Name: 2-[[3-(benzylsulfamoyl)benzoyl]amino]-4-methyl-valeric acid methyl ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)C1=CC(=CC=C1)S(=O)(=O)NCC2=CC=CC=C2

Isomeric SMILES

CC(C)CC(C(=O)OC)NC(=O)C1=CC(=CC=C1)S(=O)(=O)NCC2=CC=CC=C2

InChI

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