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

Systemtic Name: [2-[(2-chlorophenyl)amino]-2-oxidanylidene-ethyl] 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate Openeye Name: [2-(2-chloroanilino)-2-oxo-ethyl] 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-chlorobenzoic acid [2-(2-chloroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-chloroanilino)-2-oxoethyl] 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-benzoic acid [2-(2-chloroanilino)-2-keto-ethyl] ester Formula: C21H22Cl2N2O5S MolecularWeight: 485.38078

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NC3=CC=CC=C3Cl)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NC3=CC=CC=C3Cl)Cl

InChI

InChI=1S/C21H22Cl2N2O5S/c22-16-7-3-4-8-18(16)24-20(26)14-30-21(27)15-9-10-17(23)19(13-15)31(28,29)25-11-5-1-2-6-12-25/h3-4,7-10,13H,1-2,5-6,11-12,14H2,(H,24,26)