3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-piperidin-1-yl-benzoic acid

Systemtic Name: 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-piperidin-1-yl-benzoic acid Openeye Name: 3-[(3,5-dimethyl-1-piperidyl)sulfonyl]-4-(1-piperidyl)benzoic acid CAS Name: 3-[(3,5-dimethyl-1-piperidinyl)sulfonyl]-4-(1-piperidinyl)benzoic acid IUPAC Name: 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-piperidin-1-ylbenzoic acid Traditional Name: 3-(3,5-dimethylpiperidino)sulfonyl-4-piperidino-benzoic acid Formula: C19H28N2O4S MolecularWeight: 380.50162

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)O)N3CCCCC3)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)O)N3CCCCC3)C

InChI

InChI=1S/C19H28N2O4S/c1-14-10-15(2)13-21(12-14)26(24,25)18-11-16(19(22)23)6-7-17(18)20-8-4-3-5-9-20/h6-7,11,14-15H,3-5,8-10,12-13H2,1-2H3,(H,22,23)