(2R)-2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)propanamide

Systemtic Name: (2R)-2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)propanamide Openeye Name: (2R)-2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide CAS Name: (2R)-2-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide IUPAC Name: (2R)-2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide Traditional Name: (2R)-2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]-N-(2-keto-1,3-dihydrobenzimidazol-5-yl)propionamide Formula: C21H25N5O4S2 MolecularWeight: 475.5843

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)NC(=O)N2)SC3=NC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

C[C@H](C(=O)NC1=CC2=C(C=C1)NC(=O)N2)SC3=NC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C21H25N5O4S2/c1-14(20(27)23-15-6-8-17-18(12-15)25-21(28)24-17)31-19-9-7-16(13-22-19)32(29,30)26-10-4-2-3-5-11-26/h6-9,12-14H,2-5,10-11H2,1H3,(H,23,27)(H2,24,25,28)/t14-/m1/s1