ethyl 3-[[3-(azepan-1-ylcarbonyl)-4-methoxy-phenyl]sulfonylamino]-2-methyl-benzoate

Systemtic Name: ethyl 3-[[3-(azepan-1-ylcarbonyl)-4-methoxy-phenyl]sulfonylamino]-2-methyl-benzoate Openeye Name: ethyl 3-[[3-(azepane-1-carbonyl)-4-methoxy-phenyl]sulfonylamino]-2-methyl-benzoate CAS Name: 3-[[3-[1-azepanyl(oxo)methyl]-4-methoxyphenyl]sulfonylamino]-2-methylbenzoic acid ethyl ester IUPAC Name: ethyl 3-[[3-(azepane-1-carbonyl)-4-methoxyphenyl]sulfonylamino]-2-methylbenzoate Traditional Name: 3-[[3-(azepane-1-carbonyl)-4-methoxy-phenyl]sulfonylamino]-2-methyl-benzoic acid ethyl ester Formula: C24H30N2O6S MolecularWeight: 474.5698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N2O6S/c1-4-32-24(28)19-10-9-11-21(17(19)2)25-33(29,30)18-12-13-22(31-3)20(16-18)23(27)26-14-7-5-6-8-15-26/h9-13,16,25H,4-8,14-15H2,1-3H3