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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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