3-methyl-4-[(3-methylpiperidin-1-yl)sulfonylamino]benzoic acid

Systemtic Name: 3-methyl-4-[(3-methylpiperidin-1-yl)sulfonylamino]benzoic acid Openeye Name: 3-methyl-4-[(3-methyl-1-piperidyl)sulfonylamino]benzoic acid CAS Name: 3-methyl-4-[(3-methyl-1-piperidinyl)sulfonylamino]benzoic acid IUPAC Name: 3-methyl-4-[(3-methylpiperidin-1-yl)sulfonylamino]benzoic acid Traditional Name: 3-methyl-4-[(3-methylpiperidino)sulfonylamino]benzoic acid Formula: C14H20N2O4S MolecularWeight: 312.3846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)NC2=C(C=C(C=C2)C(=O)O)C

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)NC2=C(C=C(C=C2)C(=O)O)C

InChI

InChI=1S/C14H20N2O4S/c1-10-4-3-7-16(9-10)21(19,20)15-13-6-5-12(14(17)18)8-11(13)2/h5-6,8,10,15H,3-4,7,9H2,1-2H3,(H,17,18)