1-[2-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl]cyclohexane-1-carboxylic acid

Systemtic Name: 1-[2-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl]cyclohexane-1-carboxylic acid Openeye Name: 1-[2-[3-(azepan-1-ylsulfonyl)-4-methyl-anilino]-2-oxo-ethyl]cyclohexanecarboxylic acid CAS Name: 1-[2-[3-(1-azepanylsulfonyl)-4-methylanilino]-2-oxoethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 1-[2-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-2-oxoethyl]cyclohexane-1-carboxylic acid Traditional Name: 1-[2-[3-(azepan-1-ylsulfonyl)-4-methyl-anilino]-2-keto-ethyl]cyclohexanecarboxylic acid Formula: C22H32N2O5S MolecularWeight: 436.56488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CC2(CCCCC2)C(=O)O)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CC2(CCCCC2)C(=O)O)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H32N2O5S/c1-17-9-10-18(15-19(17)30(28,29)24-13-7-2-3-8-14-24)23-20(25)16-22(21(26)27)11-5-4-6-12-22/h9-10,15H,2-8,11-14,16H2,1H3,(H,23,25)(H,26,27)