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

Systemtic Name: 4-phenyl-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]butanamide Openeye Name: 4-phenyl-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]butanamide CAS Name: 4-phenyl-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]butanamide IUPAC Name: 4-phenyl-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]butanamide Traditional Name: 4-phenyl-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]butyramide Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NCC1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CCCC3=CC=CC=C3

Isomeric SMILES

C1CCC(=NCC1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CCCC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O3S/c26-22(12-7-10-18-8-3-1-4-9-18)24-19-13-15-20(16-14-19)29(27,28)25-21-11-5-2-6-17-23-21/h1,3-4,8-9,13-16H,2,5-7,10-12,17H2,(H,23,25)(H,24,26)