2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-[(2S)-butan-2-yl]ethanamide

Systemtic Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-[(2S)-butan-2-yl]ethanamide Openeye Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]-N-[(1S)-1-methylpropyl]acetamide CAS Name: 2-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]-N-[(2S)-butan-2-yl]acetamide IUPAC Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-[(2S)-butan-2-yl]acetamide Traditional Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]-N-[(1S)-1-methylpropyl]acetamide Formula: C17H27N3O3S2 MolecularWeight: 385.54458

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CSC1=NC=C(C=C1)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CC[C@H](C)NC(=O)CSC1=NC=C(C=C1)S(=O)(=O)N2CCCCCC2

InChI

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