3,4-dimethyl-5-[4-(phenylcarbamoyl)piperidin-1-yl]sulfonyl-benzoic acid

Systemtic Name: 3,4-dimethyl-5-[4-(phenylcarbamoyl)piperidin-1-yl]sulfonyl-benzoic acid Openeye Name: 3,4-dimethyl-5-[[4-(phenylcarbamoyl)-1-piperidyl]sulfonyl]benzoic acid CAS Name: 3-[[4-[anilino(oxo)methyl]-1-piperidinyl]sulfonyl]-4,5-dimethylbenzoic acid IUPAC Name: 3,4-dimethyl-5-[4-(phenylcarbamoyl)piperidin-1-yl]sulfonylbenzoic acid Traditional Name: 3,4-dimethyl-5-[4-(phenylcarbamoyl)piperidino]sulfonyl-benzoic acid Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC=C3)C

InChI

InChI=1S/C21H24N2O5S/c1-14-12-17(21(25)26)13-19(15(14)2)29(27,28)23-10-8-16(9-11-23)20(24)22-18-6-4-3-5-7-18/h3-7,12-13,16H,8-11H2,1-2H3,(H,22,24)(H,25,26)