4-(4-benzamidopiperidin-1-yl)-3-methylsulfonyl-benzoic acid

Systemtic Name: 4-(4-benzamidopiperidin-1-yl)-3-methylsulfonyl-benzoic acid Openeye Name: 4-(4-benzamido-1-piperidyl)-3-methylsulfonyl-benzoic acid CAS Name: 4-(4-benzamido-1-piperidinyl)-3-methylsulfonylbenzoic acid IUPAC Name: 4-(4-benzamidopiperidin-1-yl)-3-methylsulfonylbenzoic acid Traditional Name: 4-(4-benzamidopiperidino)-3-mesyl-benzoic acid Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)N2CCC(CC2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)N2CCC(CC2)NC(=O)C3=CC=CC=C3

InChI

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