methyl 1-[[3-(azepan-1-ylsulfonyl)phenyl]carbonylamino]cyclohexane-1-carboxylate

Systemtic Name: methyl 1-[[3-(azepan-1-ylsulfonyl)phenyl]carbonylamino]cyclohexane-1-carboxylate Openeye Name: methyl 1-[[3-(azepan-1-ylsulfonyl)benzoyl]amino]cyclohexanecarboxylate CAS Name: 1-[[[3-(1-azepanylsulfonyl)phenyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-[[3-(azepan-1-ylsulfonyl)benzoyl]amino]cyclohexane-1-carboxylate Traditional Name: 1-[[3-(azepan-1-ylsulfonyl)benzoyl]amino]cyclohexanecarboxylic acid methyl ester Formula: C21H30N2O5S MolecularWeight: 422.5383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCCCC1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC(=O)C1(CCCCC1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H30N2O5S/c1-28-20(25)21(12-5-4-6-13-21)22-19(24)17-10-9-11-18(16-17)29(26,27)23-14-7-2-3-8-15-23/h9-11,16H,2-8,12-15H2,1H3,(H,22,24)