[2-[(2,4-dichlorophenyl)methylamino]-2-oxidanylidene-ethyl] 4-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: [2-[(2,4-dichlorophenyl)methylamino]-2-oxidanylidene-ethyl] 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: [2-[(2,4-dichlorophenyl)methylamino]-2-oxo-ethyl] 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid [2-[(2,4-dichlorobenzyl)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=CC=C(C=C2)C(=O)OCC(=O)NCC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)NCC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C22H24Cl2N2O5S/c23-18-8-5-17(20(24)13-18)14-25-21(27)15-31-22(28)16-6-9-19(10-7-16)32(29,30)26-11-3-1-2-4-12-26/h5-10,13H,1-4,11-12,14-15H2,(H,25,27)