ethyl 3-[[3-(azepan-1-ylcarbonyl)-4-methoxy-phenyl]sulfonylamino]benzoate

Systemtic Name: ethyl 3-[[3-(azepan-1-ylcarbonyl)-4-methoxy-phenyl]sulfonylamino]benzoate Openeye Name: ethyl 3-[[3-(azepane-1-carbonyl)-4-methoxy-phenyl]sulfonylamino]benzoate CAS Name: 3-[[3-[1-azepanyl(oxo)methyl]-4-methoxyphenyl]sulfonylamino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[3-(azepane-1-carbonyl)-4-methoxyphenyl]sulfonylamino]benzoate Traditional Name: 3-[[3-(azepane-1-carbonyl)-4-methoxy-phenyl]sulfonylamino]benzoic acid ethyl ester Formula: C23H28N2O6S MolecularWeight: 460.54322

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NS(=O)(=O)C2=CC(=C(C=C2)OC)C(=O)N3CCCCCC3

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NS(=O)(=O)C2=CC(=C(C=C2)OC)C(=O)N3CCCCCC3

InChI

InChI=1S/C23H28N2O6S/c1-3-31-23(27)17-9-8-10-18(15-17)24-32(28,29)19-11-12-21(30-2)20(16-19)22(26)25-13-6-4-5-7-14-25/h8-12,15-16,24H,3-7,13-14H2,1-2H3