2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-(cyclopropylcarbamoyl)propanamide

Systemtic Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-(cyclopropylcarbamoyl)propanamide Openeye Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]-N-(cyclopropylcarbamoyl)propanamide CAS Name: 2-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]-N-[(cyclopropylamino)-oxomethyl]propanamide IUPAC Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-(cyclopropylcarbamoyl)propanamide Traditional Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]-N-(cyclopropylcarbamoyl)propionamide Formula: C18H26N4O4S2 MolecularWeight: 426.55344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1CC1)SC2=NC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC(C(=O)NC(=O)NC1CC1)SC2=NC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C18H26N4O4S2/c1-13(17(23)21-18(24)20-14-6-7-14)27-16-9-8-15(12-19-16)28(25,26)22-10-4-2-3-5-11-22/h8-9,12-14H,2-7,10-11H2,1H3,(H2,20,21,23,24)