[3-[(4-methoxyphenyl)carbonylamino]phenyl] 3-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: [3-[(4-methoxyphenyl)carbonylamino]phenyl] 3-(azepan-1-ylsulfonyl)benzoate Openeye Name: [3-[(4-methoxybenzoyl)amino]phenyl] 3-(azepan-1-ylsulfonyl)benzoate CAS Name: 3-(1-azepanylsulfonyl)benzoic acid [3-[[(4-methoxyphenyl)-oxomethyl]amino]phenyl] ester IUPAC Name: [3-[(4-methoxybenzoyl)amino]phenyl] 3-(azepan-1-ylsulfonyl)benzoate Traditional Name: 3-(azepan-1-ylsulfonyl)benzoic acid [3-(p-anisoylamino)phenyl] ester Formula: C27H28N2O6S MolecularWeight: 508.58602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N2O6S/c1-34-23-14-12-20(13-15-23)26(30)28-22-9-7-10-24(19-22)35-27(31)21-8-6-11-25(18-21)36(32,33)29-16-4-2-3-5-17-29/h6-15,18-19H,2-5,16-17H2,1H3,(H,28,30)