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

Systemtic Name: [2-oxidanylidene-2-[[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]amino]ethyl] (E)-3-(4-chlorophenyl)prop-2-enoate Openeye Name: [2-oxo-2-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)anilino]ethyl] (E)-3-(4-chlorophenyl)prop-2-enoate CAS Name: (E)-3-(4-chlorophenyl)-2-propenoic 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] (E)-3-(4-chlorophenyl)prop-2-enoate Traditional Name: (E)-3-(4-chlorophenyl)acrylic acid [2-keto-2-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)anilino]ethyl] ester Formula: C23H24ClN3O5S MolecularWeight: 489.97176

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NCC1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)C=CC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCC(=NCC1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)/C=C/C3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H24ClN3O5S/c24-18-11-8-17(9-12-18)10-13-23(29)32-16-22(28)26-19-5-4-6-20(15-19)33(30,31)27-21-7-2-1-3-14-25-21/h4-6,8-13,15H,1-3,7,14,16H2,(H,25,27)(H,26,28)/b13-10+