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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)(CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)C(=O)O

Isomeric SMILES

C1CCCC(CC1)(CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)C(=O)O

InChI

InChI=1S/C22H32N2O5S/c25-20(17-22(21(26)27)13-5-1-2-6-14-22)23-18-9-11-19(12-10-18)30(28,29)24-15-7-3-4-8-16-24/h9-12H,1-8,13-17H2,(H,23,25)(H,26,27)