3-azanyl-4-[[2-methyl-5-(phenylsulfonylamino)phenyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-azanyl-4-[[2-methyl-5-(phenylsulfonylamino)phenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-amino-4-[5-(benzenesulfonamido)-2-methyl-anilino]-4-oxo-butanoic acid CAS Name: 3-amino-4-[5-(benzenesulfonamido)-2-methylanilino]-4-oxobutanoic acid IUPAC Name: 3-amino-4-[5-(benzenesulfonamido)-2-methylanilino]-4-oxobutanoic acid Traditional Name: 3-amino-4-[5-(benzenesulfonamido)-2-methyl-anilino]-4-keto-butyric acid Formula: C17H19N3O5S MolecularWeight: 377.41486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=CC=C2)NC(=O)C(CC(=O)O)N

Isomeric SMILES

CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=CC=C2)NC(=O)C(CC(=O)O)N

InChI

InChI=1S/C17H19N3O5S/c1-11-7-8-12(20-26(24,25)13-5-3-2-4-6-13)9-15(11)19-17(23)14(18)10-16(21)22/h2-9,14,20H,10,18H2,1H3,(H,19,23)(H,21,22)