4-[4-methyl-5-[2-(phenylsulfonylamino)ethyl]-1H-pyrrol-2-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[4-methyl-5-[2-(phenylsulfonylamino)ethyl]-1H-pyrrol-2-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[5-[2-(benzenesulfonamido)ethyl]-4-methyl-1H-pyrrol-2-yl]-4-oxo-butanoic acid CAS Name: 4-[5-[2-(benzenesulfonamido)ethyl]-4-methyl-1H-pyrrol-2-yl]-4-oxobutanoic acid IUPAC Name: 4-[5-[2-(benzenesulfonamido)ethyl]-4-methyl-1H-pyrrol-2-yl]-4-oxobutanoic acid Traditional Name: 4-[5-[2-(benzenesulfonamido)ethyl]-4-methyl-1H-pyrrol-2-yl]-4-keto-butyric acid Formula: C17H20N2O5S MolecularWeight: 364.4161

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1)C(=O)CCC(=O)O)CCNS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=C(NC(=C1)C(=O)CCC(=O)O)CCNS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H20N2O5S/c1-12-11-15(16(20)7-8-17(21)22)19-14(12)9-10-18-25(23,24)13-5-3-2-4-6-13/h2-6,11,18-19H,7-10H2,1H3,(H,21,22)