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

Systemtic Name: 4-(4-acetamidopiperidin-1-yl)-3-methylsulfonyl-benzoic acid Openeye Name: 4-(4-acetamido-1-piperidyl)-3-methylsulfonyl-benzoic acid CAS Name: 4-(4-acetamido-1-piperidinyl)-3-methylsulfonylbenzoic acid IUPAC Name: 4-(4-acetamidopiperidin-1-yl)-3-methylsulfonylbenzoic acid Traditional Name: 4-(4-acetamidopiperidino)-3-mesyl-benzoic acid Formula: C15H20N2O5S MolecularWeight: 340.3947

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1CCN(CC1)C2=C(C=C(C=C2)C(=O)O)S(=O)(=O)C

Isomeric SMILES

CC(=O)NC1CCN(CC1)C2=C(C=C(C=C2)C(=O)O)S(=O)(=O)C

InChI

InChI=1S/C15H20N2O5S/c1-10(18)16-12-5-7-17(8-6-12)13-4-3-11(15(19)20)9-14(13)23(2,21)22/h3-4,9,12H,5-8H2,1-2H3,(H,16,18)(H,19,20)