2-[[4-(azepan-1-ylsulfonyl)phenyl]amino]-N-(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)ethanamide

Systemtic Name: 2-[[4-(azepan-1-ylsulfonyl)phenyl]amino]-N-(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)ethanamide Openeye Name: 2-[4-(azepan-1-ylsulfonyl)anilino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide CAS Name: 2-[4-(1-azepanylsulfonyl)anilino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)anilino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide Traditional Name: 2-[4-(azepan-1-ylsulfonyl)anilino]-N-(2-keto-1,3-dihydrobenzimidazol-5-yl)acetamide Formula: C21H25N5O4S MolecularWeight: 443.5193

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NCC(=O)NC3=CC4=C(C=C3)NC(=O)N4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NCC(=O)NC3=CC4=C(C=C3)NC(=O)N4

InChI

InChI=1S/C21H25N5O4S/c27-20(23-16-7-10-18-19(13-16)25-21(28)24-18)14-22-15-5-8-17(9-6-15)31(29,30)26-11-3-1-2-4-12-26/h5-10,13,22H,1-4,11-12,14H2,(H,23,27)(H2,24,25,28)