[2-oxidanylidene-2-[[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]amino]ethyl] 2,5-dimethylbenzoate

Systemtic Name: [2-oxidanylidene-2-[[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]amino]ethyl] 2,5-dimethylbenzoate Openeye Name: [2-oxo-2-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)anilino]ethyl] 2,5-dimethylbenzoate CAS Name: 2,5-dimethylbenzoic acid [2-oxo-2-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)anilino]ethyl] 2,5-dimethylbenzoate Traditional Name: 2,5-dimethylbenzoic acid [2-keto-2-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)anilino]ethyl] ester Formula: C23H27N3O5S MolecularWeight: 457.54258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=NCCCCC3

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=NCCCCC3

InChI

InChI=1S/C23H27N3O5S/c1-16-10-11-17(2)20(13-16)23(28)31-15-22(27)25-18-7-6-8-19(14-18)32(29,30)26-21-9-4-3-5-12-24-21/h6-8,10-11,13-14H,3-5,9,12,15H2,1-2H3,(H,24,26)(H,25,27)