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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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