[3-[(3-methoxyphenyl)carbonylamino]phenyl] 5-(azepan-1-ylsulfonyl)-2-chloranyl-benzoate

Systemtic Name: [3-[(3-methoxyphenyl)carbonylamino]phenyl] 5-(azepan-1-ylsulfonyl)-2-chloranyl-benzoate Openeye Name: [3-[(3-methoxybenzoyl)amino]phenyl] 5-(azepan-1-ylsulfonyl)-2-chloro-benzoate CAS Name: 5-(1-azepanylsulfonyl)-2-chlorobenzoic acid [3-[[(3-methoxyphenyl)-oxomethyl]amino]phenyl] ester IUPAC Name: [3-[(3-methoxybenzoyl)amino]phenyl] 5-(azepan-1-ylsulfonyl)-2-chlorobenzoate Traditional Name: 5-(azepan-1-ylsulfonyl)-2-chloro-benzoic acid [3-(m-anisoylamino)phenyl] ester Formula: C27H27ClN2O6S MolecularWeight: 543.03108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)NC2=CC(=CC=C2)OC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCCCCC4)Cl

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)NC2=CC(=CC=C2)OC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCCCCC4)Cl

InChI

InChI=1S/C27H27ClN2O6S/c1-35-21-10-6-8-19(16-21)26(31)29-20-9-7-11-22(17-20)36-27(32)24-18-23(12-13-25(24)28)37(33,34)30-14-4-2-3-5-15-30/h6-13,16-18H,2-5,14-15H2,1H3,(H,29,31)