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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O3S2/c24-20(9-4-6-17-7-5-15-27-17)22-16-10-12-18(13-11-16)28(25,26)23-19-8-2-1-3-14-21-19/h5,7,10-13,15H,1-4,6,8-9,14H2,(H,21,23)(H,22,24)