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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C(C1=CC=CC=C1)SC2=NC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCN(CC)C(=O)C(C1=CC=CC=C1)SC2=NC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C23H31N3O3S2/c1-3-25(4-2)23(27)22(19-12-8-7-9-13-19)30-21-15-14-20(18-24-21)31(28,29)26-16-10-5-6-11-17-26/h7-9,12-15,18,22H,3-6,10-11,16-17H2,1-2H3