3-(phenylsulfonyl)-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]propanamide

Systemtic Name: 3-(phenylsulfonyl)-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]propanamide Openeye Name: 3-(benzenesulfonyl)-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]propanamide CAS Name: 3-(benzenesulfonyl)-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]propanamide IUPAC Name: 3-(benzenesulfonyl)-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]propanamide Traditional Name: 3-besyl-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]propionamide Formula: C21H25N3O5S2 MolecularWeight: 463.5703

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NCC1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)CCS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCC(=NCC1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)CCS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H25N3O5S2/c25-21(13-15-30(26,27)18-9-3-1-4-10-18)23-17-8-7-11-19(16-17)31(28,29)24-20-12-5-2-6-14-22-20/h1,3-4,7-11,16H,2,5-6,12-15H2,(H,22,24)(H,23,25)