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

Systemtic Name: (2S)-2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-propan-2-yl-propanamide Openeye Name: (2S)-2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]-N-isopropyl-propanamide CAS Name: (2S)-2-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]-N-propan-2-ylpropanamide IUPAC Name: (2S)-2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-propan-2-ylpropanamide Traditional Name: (2S)-2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]-N-isopropyl-propionamide Formula: C17H27N3O3S2 MolecularWeight: 385.54458

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C(C)SC1=NC=C(C=C1)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

C[C@@H](C(=O)NC(C)C)SC1=NC=C(C=C1)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C17H27N3O3S2/c1-13(2)19-17(21)14(3)24-16-9-8-15(12-18-16)25(22,23)20-10-6-4-5-7-11-20/h8-9,12-14H,4-7,10-11H2,1-3H3,(H,19,21)/t14-/m0/s1