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

Systemtic Name: ethyl 4-[[3-(azepan-1-ylcarbonyl)-4-methoxy-phenyl]sulfonylamino]-3-chloranyl-benzoate Openeye Name: ethyl 4-[[3-(azepane-1-carbonyl)-4-methoxy-phenyl]sulfonylamino]-3-chloro-benzoate CAS Name: 4-[[3-[1-azepanyl(oxo)methyl]-4-methoxyphenyl]sulfonylamino]-3-chlorobenzoic acid ethyl ester IUPAC Name: ethyl 4-[[3-(azepane-1-carbonyl)-4-methoxyphenyl]sulfonylamino]-3-chlorobenzoate Traditional Name: 4-[[3-(azepane-1-carbonyl)-4-methoxy-phenyl]sulfonylamino]-3-chloro-benzoic acid ethyl ester Formula: C23H27ClN2O6S MolecularWeight: 494.98828

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C23H27ClN2O6S/c1-3-32-23(28)16-8-10-20(19(24)14-16)25-33(29,30)17-9-11-21(31-2)18(15-17)22(27)26-12-6-4-5-7-13-26/h8-11,14-15,25H,3-7,12-13H2,1-2H3