[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 4-chloranyl-3-[phenyl(prop-2-enyl)sulfamoyl]benzoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 4-chloranyl-3-[phenyl(prop-2-enyl)sulfamoyl]benzoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 3-[allyl(phenyl)sulfamoyl]-4-chloro-benzoate CAS Name: 4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]benzoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]benzoate Traditional Name: 3-[allyl(phenyl)sulfamoyl]-4-chloro-benzoic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C24H27ClN2O5S MolecularWeight: 490.99958

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(C1=CC=CC=C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)N3CCCCCC3)Cl

Isomeric SMILES

C=CCN(C1=CC=CC=C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)N3CCCCCC3)Cl

InChI

InChI=1S/C24H27ClN2O5S/c1-2-14-27(20-10-6-5-7-11-20)33(30,31)22-17-19(12-13-21(22)25)24(29)32-18-23(28)26-15-8-3-4-9-16-26/h2,5-7,10-13,17H,1,3-4,8-9,14-16,18H2