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

Systemtic Name: (2R)-2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-(3-cyanothiophen-2-yl)propanamide Openeye Name: (2R)-2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]-N-(3-cyano-2-thienyl)propanamide CAS Name: (2R)-2-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]-N-(3-cyano-2-thiophenyl)propanamide IUPAC Name: (2R)-2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-(3-cyanothiophen-2-yl)propanamide Traditional Name: (2R)-2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]-N-(3-cyano-2-thienyl)propionamide Formula: C19H22N4O3S3 MolecularWeight: 450.59798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CS1)C#N)SC2=NC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=CS1)C#N)SC2=NC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C19H22N4O3S3/c1-14(18(24)22-19-15(12-20)8-11-27-19)28-17-7-6-16(13-21-17)29(25,26)23-9-4-2-3-5-10-23/h6-8,11,13-14H,2-5,9-10H2,1H3,(H,22,24)/t14-/m1/s1