[2-(cyclohexylamino)-2-oxidanylidene-ethyl] 4-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: [2-(cyclohexylamino)-2-oxidanylidene-ethyl] 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: [2-(cyclohexylamino)-2-oxo-ethyl] 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid [2-(cyclohexylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylamino)-2-oxoethyl] 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid [2-(cyclohexylamino)-2-keto-ethyl] ester 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)C(=O)OCC(=O)NC3CCCCC3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)NC3CCCCC3

InChI

InChI=1S/C21H30N2O5S/c24-20(22-18-8-4-3-5-9-18)16-28-21(25)17-10-12-19(13-11-17)29(26,27)23-14-6-1-2-7-15-23/h10-13,18H,1-9,14-16H2,(H,22,24)