[2-[(2-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate

Systemtic Name: [2-[(2-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate Openeye Name: [2-[(2-chlorophenyl)methylamino]-2-oxo-ethyl] 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-chlorobenzoic acid [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-benzoic acid [2-[(2-chlorobenzyl)amino]-2-keto-ethyl] ester Formula: C22H24Cl2N2O5S MolecularWeight: 499.40736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NCC3=CC=CC=C3Cl)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NCC3=CC=CC=C3Cl)Cl

InChI

InChI=1S/C22H24Cl2N2O5S/c23-18-8-4-3-7-17(18)14-25-21(27)15-31-22(28)16-9-10-19(24)20(13-16)32(29,30)26-11-5-1-2-6-12-26/h3-4,7-10,13H,1-2,5-6,11-12,14-15H2,(H,25,27)