4-[(E)-3-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]amino]-3-oxidanylidene-prop-1-enyl]benzoic acid

Systemtic Name: 4-[(E)-3-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]amino]-3-oxidanylidene-prop-1-enyl]benzoic acid Openeye Name: 4-[(E)-3-[4-[(4-methyl-1-piperidyl)sulfonyl]anilino]-3-oxo-prop-1-enyl]benzoic acid CAS Name: 4-[(E)-3-[4-[(4-methyl-1-piperidinyl)sulfonyl]anilino]-3-oxoprop-1-enyl]benzoic acid IUPAC Name: 4-[(E)-3-[4-(4-methylpiperidin-1-yl)sulfonylanilino]-3-oxoprop-1-enyl]benzoic acid Traditional Name: 4-[(E)-3-keto-3-[4-(4-methylpiperidino)sulfonylanilino]prop-1-enyl]benzoic acid Formula: C22H24N2O5S MolecularWeight: 428.50136

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C=CC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)/C=C/C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C22H24N2O5S/c1-16-12-14-24(15-13-16)30(28,29)20-9-7-19(8-10-20)23-21(25)11-4-17-2-5-18(6-3-17)22(26)27/h2-11,16H,12-15H2,1H3,(H,23,25)(H,26,27)/b11-4+