2-(3,5-dimethylpiperidin-1-yl)-5-piperidin-1-ylsulfonyl-benzoic acid

Systemtic Name: 2-(3,5-dimethylpiperidin-1-yl)-5-piperidin-1-ylsulfonyl-benzoic acid Openeye Name: 2-(3,5-dimethyl-1-piperidyl)-5-(1-piperidylsulfonyl)benzoic acid CAS Name: 2-(3,5-dimethyl-1-piperidinyl)-5-(1-piperidinylsulfonyl)benzoic acid IUPAC Name: 2-(3,5-dimethylpiperidin-1-yl)-5-piperidin-1-ylsulfonylbenzoic acid Traditional Name: 2-(3,5-dimethylpiperidino)-5-piperidinosulfonyl-benzoic acid Formula: C19H28N2O4S MolecularWeight: 380.50162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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