(3S)-3-methyl-5-oxidanylidene-5-[[4-[(phenylmethyl)sulfamoyl]phenyl]amino]pentanoic acid

Systemtic Name: (3S)-3-methyl-5-oxidanylidene-5-[[4-[(phenylmethyl)sulfamoyl]phenyl]amino]pentanoic acid Openeye Name: (3S)-5-[4-(benzylsulfamoyl)anilino]-3-methyl-5-oxo-pentanoic acid CAS Name: (3S)-3-methyl-5-oxo-5-[4-[(phenylmethyl)sulfamoyl]anilino]pentanoic acid IUPAC Name: (3S)-5-[4-(benzylsulfamoyl)anilino]-3-methyl-5-oxopentanoic acid Traditional Name: (3S)-5-[4-(benzylsulfamoyl)anilino]-5-keto-3-methyl-valeric acid Formula: C19H22N2O5S MolecularWeight: 390.45338

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=CC=C2)CC(=O)O

Isomeric SMILES

C[C@@H](CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=CC=C2)CC(=O)O

InChI

InChI=1S/C19H22N2O5S/c1-14(12-19(23)24)11-18(22)21-16-7-9-17(10-8-16)27(25,26)20-13-15-5-3-2-4-6-15/h2-10,14,20H,11-13H2,1H3,(H,21,22)(H,23,24)/t14-/m0/s1