5-(3-methylpiperidin-1-yl)sulfonyl-2-propan-2-yloxy-benzoic acid

Systemtic Name: 5-(3-methylpiperidin-1-yl)sulfonyl-2-propan-2-yloxy-benzoic acid Openeye Name: 2-isopropoxy-5-[(3-methyl-1-piperidyl)sulfonyl]benzoic acid CAS Name: 5-[(3-methyl-1-piperidinyl)sulfonyl]-2-propan-2-yloxybenzoic acid IUPAC Name: 5-(3-methylpiperidin-1-yl)sulfonyl-2-propan-2-yloxybenzoic acid Traditional Name: 2-isopropoxy-5-(3-methylpiperidino)sulfonyl-benzoic acid Formula: C16H23NO5S MolecularWeight: 341.42252

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OC(C)C)C(=O)O

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OC(C)C)C(=O)O

InChI

InChI=1S/C16H23NO5S/c1-11(2)22-15-7-6-13(9-14(15)16(18)19)23(20,21)17-8-4-5-12(3)10-17/h6-7,9,11-12H,4-5,8,10H2,1-3H3,(H,18,19)