[2-[cyclohexyl(methyl)amino]-2-oxidanylidene-ethyl] 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate

Systemtic Name: [2-[cyclohexyl(methyl)amino]-2-oxidanylidene-ethyl] 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate Openeye Name: [2-[cyclohexyl(methyl)amino]-2-oxo-ethyl] 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-chlorobenzoic acid [2-[cyclohexyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-benzoic acid [2-[cyclohexyl(methyl)amino]-2-keto-ethyl] ester Formula: C22H31ClN2O5S MolecularWeight: 471.00994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CN(C1CCCCC1)C(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H31ClN2O5S/c1-24(18-9-5-4-6-10-18)21(26)16-30-22(27)17-11-12-19(23)20(15-17)31(28,29)25-13-7-2-3-8-14-25/h11-12,15,18H,2-10,13-14,16H2,1H3