(E)-4-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[4-[(4-methyl-1-piperidyl)sulfonyl]anilino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[4-[(4-methyl-1-piperidinyl)sulfonyl]anilino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[4-(4-methylpiperidin-1-yl)sulfonylanilino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-keto-4-[4-(4-methylpiperidino)sulfonylanilino]but-2-enoic acid Formula: C16H20N2O5S MolecularWeight: 352.4054

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C=CC(=O)O

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)/C=C/C(=O)O

InChI

InChI=1S/C16H20N2O5S/c1-12-8-10-18(11-9-12)24(22,23)14-4-2-13(3-5-14)17-15(19)6-7-16(20)21/h2-7,12H,8-11H2,1H3,(H,17,19)(H,20,21)/b7-6+