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

Systemtic Name: [2-[(4-fluorophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate Openeye Name: [2-(4-fluoroanilino)-2-oxo-1-phenyl-ethyl] 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-chlorobenzoic acid [2-(4-fluoroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-benzoic acid [2-(4-fluoroanilino)-2-keto-1-phenyl-ethyl] ester Formula: C27H26ClFN2O5S MolecularWeight: 545.022143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC(C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)F)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC(C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)F)Cl

InChI

InChI=1S/C27H26ClFN2O5S/c28-23-15-10-20(18-24(23)37(34,35)31-16-6-1-2-7-17-31)27(33)36-25(19-8-4-3-5-9-19)26(32)30-22-13-11-21(29)12-14-22/h3-5,8-15,18,25H,1-2,6-7,16-17H2,(H,30,32)