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

Systemtic Name: 2-(3-methylpiperidin-1-yl)-5-piperidin-1-ylsulfonyl-benzoic acid Openeye Name: 2-(3-methyl-1-piperidyl)-5-(1-piperidylsulfonyl)benzoic acid CAS Name: 2-(3-methyl-1-piperidinyl)-5-(1-piperidinylsulfonyl)benzoic acid IUPAC Name: 2-(3-methylpiperidin-1-yl)-5-piperidin-1-ylsulfonylbenzoic acid Traditional Name: 2-(3-methylpiperidino)-5-piperidinosulfonyl-benzoic acid Formula: C18H26N2O4S MolecularWeight: 366.47504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)C(=O)O

Isomeric SMILES

CC1CCCN(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)C(=O)O

InChI

InChI=1S/C18H26N2O4S/c1-14-6-5-9-19(13-14)17-8-7-15(12-16(17)18(21)22)25(23,24)20-10-3-2-4-11-20/h7-8,12,14H,2-6,9-11,13H2,1H3,(H,21,22)