[1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl] 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCC1)OC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC(C(=O)NC1CCCCC1)OC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

InChI

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