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

Systemtic Name: N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]-4-thiophen-2-yl-butanamide Openeye Name: N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]-4-(2-thienyl)butanamide CAS Name: N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]-4-thiophen-2-ylbutanamide IUPAC Name: N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]-4-thiophen-2-ylbutanamide Traditional Name: N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]-4-(2-thienyl)butyramide Formula: C20H25N3O3S2 MolecularWeight: 419.5608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NCC1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)CCCC3=CC=CS3

Isomeric SMILES

C1CCC(=NCC1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)CCCC3=CC=CS3

InChI

InChI=1S/C20H25N3O3S2/c24-20(12-5-8-17-9-6-14-27-17)22-16-7-4-10-18(15-16)28(25,26)23-19-11-2-1-3-13-21-19/h4,6-7,9-10,14-15H,1-3,5,8,11-13H2,(H,21,23)(H,22,24)