1-[2-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]amino]-2-oxidanylidene-ethyl]cycloheptane-1-carboxylic acid

Systemtic Name: 1-[2-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]amino]-2-oxidanylidene-ethyl]cycloheptane-1-carboxylic acid Openeye Name: 1-[2-[4-[(4-methyl-1-piperidyl)sulfonyl]anilino]-2-oxo-ethyl]cycloheptanecarboxylic acid CAS Name: 1-[2-[4-[(4-methyl-1-piperidinyl)sulfonyl]anilino]-2-oxoethyl]-1-cycloheptanecarboxylic acid IUPAC Name: 1-[2-[4-(4-methylpiperidin-1-yl)sulfonylanilino]-2-oxoethyl]cycloheptane-1-carboxylic acid Traditional Name: 1-[2-keto-2-[4-(4-methylpiperidino)sulfonylanilino]ethyl]cycloheptanecarboxylic acid Formula: C22H32N2O5S MolecularWeight: 436.56488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CC3(CCCCCC3)C(=O)O

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CC3(CCCCCC3)C(=O)O

InChI

InChI=1S/C22H32N2O5S/c1-17-10-14-24(15-11-17)30(28,29)19-8-6-18(7-9-19)23-20(25)16-22(21(26)27)12-4-2-3-5-13-22/h6-9,17H,2-5,10-16H2,1H3,(H,23,25)(H,26,27)