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

Systemtic Name: 3-phenyl-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]propanamide Openeye Name: 3-phenyl-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]propanamide CAS Name: 3-phenyl-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]propanamide IUPAC Name: 3-phenyl-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]propanamide Traditional Name: 3-phenyl-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]propionamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NCC1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

C1CCC(=NCC1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O3S/c25-21(15-10-17-7-3-1-4-8-17)23-18-11-13-19(14-12-18)28(26,27)24-20-9-5-2-6-16-22-20/h1,3-4,7-8,11-14H,2,5-6,9-10,15-16H2,(H,22,24)(H,23,25)