[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 4-chloranyl-3-(cyclopropylsulfamoyl)benzoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 4-chloranyl-3-(cyclopropylsulfamoyl)benzoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 4-chloro-3-(cyclopropylsulfamoyl)benzoate CAS Name: 4-chloro-3-(cyclopropylsulfamoyl)benzoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 4-chloro-3-(cyclopropylsulfamoyl)benzoate Traditional Name: 4-chloro-3-(cyclopropylsulfamoyl)benzoic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C18H23ClN2O5S MolecularWeight: 414.90362

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)NC3CC3

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)NC3CC3

InChI

InChI=1S/C18H23ClN2O5S/c19-15-8-5-13(11-16(15)27(24,25)20-14-6-7-14)18(23)26-12-17(22)21-9-3-1-2-4-10-21/h5,8,11,14,20H,1-4,6-7,9-10,12H2