2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-[(2S)-3-methylbutan-2-yl]ethanamide

Systemtic Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-[(2S)-3-methylbutan-2-yl]ethanamide Openeye Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]-N-[(1S)-1,2-dimethylpropyl]acetamide CAS Name: 2-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]-N-[(2S)-3-methylbutan-2-yl]acetamide IUPAC Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-[(2S)-3-methylbutan-2-yl]acetamide Traditional Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]-N-[(1S)-1,2-dimethylpropyl]acetamide Formula: C18H29N3O3S2 MolecularWeight: 399.57116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N3O3S2/c1-14(2)15(3)20-17(22)13-25-18-9-8-16(12-19-18)26(23,24)21-10-6-4-5-7-11-21/h8-9,12,14-15H,4-7,10-11,13H2,1-3H3,(H,20,22)/t15-/m0/s1