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

Systemtic Name: 2-(3-methylpiperidin-1-yl)-5-(3-methylpiperidin-1-yl)sulfonyl-benzoic acid Openeye Name: 2-(3-methyl-1-piperidyl)-5-[(3-methyl-1-piperidyl)sulfonyl]benzoic acid CAS Name: 2-(3-methyl-1-piperidinyl)-5-[(3-methyl-1-piperidinyl)sulfonyl]benzoic acid IUPAC Name: 2-(3-methylpiperidin-1-yl)-5-(3-methylpiperidin-1-yl)sulfonylbenzoic acid Traditional Name: 2-(3-methylpiperidino)-5-(3-methylpiperidino)sulfonyl-benzoic acid Formula: C19H28N2O4S MolecularWeight: 380.50162

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCC(C3)C)C(=O)O

Isomeric SMILES

CC1CCCN(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCC(C3)C)C(=O)O

InChI

InChI=1S/C19H28N2O4S/c1-14-5-3-9-20(12-14)18-8-7-16(11-17(18)19(22)23)26(24,25)21-10-4-6-15(2)13-21/h7-8,11,14-15H,3-6,9-10,12-13H2,1-2H3,(H,22,23)