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

Systemtic Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-[(1S,2S)-2-methylcyclohexyl]ethanamide Openeye Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide CAS Name: 2-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]-N-[(1S,2S)-2-methylcyclohexyl]acetamide IUPAC Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-[(1S,2S)-2-methylcyclohexyl]acetamide Traditional Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]-N-[(1S,2S)-2-methylcyclohexyl]acetamide Formula: C20H31N3O3S2 MolecularWeight: 425.60844

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H31N3O3S2/c1-16-8-4-5-9-18(16)22-19(24)15-27-20-11-10-17(14-21-20)28(25,26)23-12-6-2-3-7-13-23/h10-11,14,16,18H,2-9,12-13,15H2,1H3,(H,22,24)/t16-,18-/m0/s1