N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(1H-benzimidazol-2-ylsulfanyl)ethanamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(1H-benzimidazol-2-ylsulfanyl)ethanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(1H-benzimidazol-2-ylsulfanyl)acetamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-(1H-benzimidazol-2-ylthio)acetamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(1H-benzimidazol-2-ylsulfanyl)acetamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(1H-benzimidazol-2-ylthio)acetamide Formula: C21H24N4O3S2 MolecularWeight: 444.57026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC4=CC=CC=C4N3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C21H24N4O3S2/c26-20(15-29-21-23-18-7-3-4-8-19(18)24-21)22-16-9-11-17(12-10-16)30(27,28)25-13-5-1-2-6-14-25/h3-4,7-12H,1-2,5-6,13-15H2,(H,22,26)(H,23,24)