3-methyl-4-[[1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]carbonylamino]benzoic acid

Systemtic Name: 3-methyl-4-[[1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]carbonylamino]benzoic acid Openeye Name: 3-methyl-4-[[1-[(E)-styryl]sulfonylpiperidine-4-carbonyl]amino]benzoic acid CAS Name: 3-methyl-4-[[oxo-[1-[(E)-2-phenylethenyl]sulfonyl-4-piperidinyl]methyl]amino]benzoic acid IUPAC Name: 3-methyl-4-[[1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carbonyl]amino]benzoic acid Traditional Name: 3-methyl-4-[[1-[(E)-styryl]sulfonylisonipecotoyl]amino]benzoic acid Formula: C22H24N2O5S MolecularWeight: 428.50136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C2CCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C2CCN(CC2)S(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C22H24N2O5S/c1-16-15-19(22(26)27)7-8-20(16)23-21(25)18-9-12-24(13-10-18)30(28,29)14-11-17-5-3-2-4-6-17/h2-8,11,14-15,18H,9-10,12-13H2,1H3,(H,23,25)(H,26,27)/b14-11+