2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-[1-(4-ethylphenyl)ethyl]ethanamide

Systemtic Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-[1-(4-ethylphenyl)ethyl]ethanamide Openeye Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]-N-[1-(4-ethylphenyl)ethyl]acetamide CAS Name: 2-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]-N-[1-(4-ethylphenyl)ethyl]acetamide IUPAC Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-[1-(4-ethylphenyl)ethyl]acetamide Traditional Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]-N-[1-(4-ethylphenyl)ethyl]acetamide Formula: C23H31N3O3S2 MolecularWeight: 461.64054

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C)NC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCC1=CC=C(C=C1)C(C)NC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C23H31N3O3S2/c1-3-19-8-10-20(11-9-19)18(2)25-22(27)17-30-23-13-12-21(16-24-23)31(28,29)26-14-6-4-5-7-15-26/h8-13,16,18H,3-7,14-15,17H2,1-2H3,(H,25,27)