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

Systemtic Name: 1-[2-[[4-(azepan-1-ylsulfonyl)phenyl]amino]-2-oxidanylidene-ethyl]cyclohexane-1-carboxylic acid Openeye Name: 1-[2-[4-(azepan-1-ylsulfonyl)anilino]-2-oxo-ethyl]cyclohexanecarboxylic acid CAS Name: 1-[2-[4-(1-azepanylsulfonyl)anilino]-2-oxoethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 1-[2-[4-(azepan-1-ylsulfonyl)anilino]-2-oxoethyl]cyclohexane-1-carboxylic acid Traditional Name: 1-[2-[4-(azepan-1-ylsulfonyl)anilino]-2-keto-ethyl]cyclohexanecarboxylic acid Formula: C21H30N2O5S MolecularWeight: 422.5383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CC3(CCCCC3)C(=O)O

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CC3(CCCCC3)C(=O)O

InChI

InChI=1S/C21H30N2O5S/c24-19(16-21(20(25)26)12-4-3-5-13-21)22-17-8-10-18(11-9-17)29(27,28)23-14-6-1-2-7-15-23/h8-11H,1-7,12-16H2,(H,22,24)(H,25,26)