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

Systemtic Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-[(4-chlorophenyl)methyl]ethanamide Openeye Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]-N-[(4-chlorophenyl)methyl]acetamide CAS Name: 2-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]-N-[(4-chlorophenyl)methyl]acetamide IUPAC Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-[(4-chlorophenyl)methyl]acetamide Traditional Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]-N-(4-chlorobenzyl)acetamide Formula: C20H24ClN3O3S2 MolecularWeight: 454.00586

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)NCC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)NCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H24ClN3O3S2/c21-17-7-5-16(6-8-17)13-22-19(25)15-28-20-10-9-18(14-23-20)29(26,27)24-11-3-1-2-4-12-24/h5-10,14H,1-4,11-13,15H2,(H,22,25)