2,2-dimethyl-3-[methyl-(2-pyrrol-1-ylsulfonylphenyl)amino]-3-oxidanylidene-propanoic acid

Systemtic Name: 2,2-dimethyl-3-[methyl-(2-pyrrol-1-ylsulfonylphenyl)amino]-3-oxidanylidene-propanoic acid Openeye Name: 2,2-dimethyl-3-(N-methyl-2-pyrrol-1-ylsulfonyl-anilino)-3-oxo-propanoic acid CAS Name: 2,2-dimethyl-3-[N-methyl-2-(1-pyrrolylsulfonyl)anilino]-3-oxopropanoic acid IUPAC Name: 2,2-dimethyl-3-(N-methyl-2-pyrrol-1-ylsulfonylanilino)-3-oxopropanoic acid Traditional Name: 3-keto-2,2-dimethyl-3-(N-methyl-2-pyrrol-1-ylsulfonyl-anilino)propionic acid Formula: C16H18N2O5S MolecularWeight: 350.38952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)N(C)C1=CC=CC=C1S(=O)(=O)N2C=CC=C2)C(=O)O

Isomeric SMILES

CC(C)(C(=O)N(C)C1=CC=CC=C1S(=O)(=O)N2C=CC=C2)C(=O)O

InChI

InChI=1S/C16H18N2O5S/c1-16(2,15(20)21)14(19)17(3)12-8-4-5-9-13(12)24(22,23)18-10-6-7-11-18/h4-11H,1-3H3,(H,20,21)