2-methyl-5-[4-(phenylcarbamoyl)piperidin-1-yl]sulfonyl-benzoic acid

Systemtic Name: 2-methyl-5-[4-(phenylcarbamoyl)piperidin-1-yl]sulfonyl-benzoic acid Openeye Name: 2-methyl-5-[[4-(phenylcarbamoyl)-1-piperidyl]sulfonyl]benzoic acid CAS Name: 5-[[4-[anilino(oxo)methyl]-1-piperidinyl]sulfonyl]-2-methylbenzoic acid IUPAC Name: 2-methyl-5-[4-(phenylcarbamoyl)piperidin-1-yl]sulfonylbenzoic acid Traditional Name: 2-methyl-5-[4-(phenylcarbamoyl)piperidino]sulfonyl-benzoic acid Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O5S/c1-14-7-8-17(13-18(14)20(24)25)28(26,27)22-11-9-15(10-12-22)19(23)21-16-5-3-2-4-6-16/h2-8,13,15H,9-12H2,1H3,(H,21,23)(H,24,25)