3-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-[(2-chlorophenyl)methyl]propanamide

Systemtic Name: 3-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-[(2-chlorophenyl)methyl]propanamide Openeye Name: 3-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]-N-[(2-chlorophenyl)methyl]propanamide CAS Name: 3-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]-N-[(2-chlorophenyl)methyl]propanamide IUPAC Name: 3-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-[(2-chlorophenyl)methyl]propanamide Traditional Name: 3-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]-N-(2-chlorobenzyl)propionamide Formula: C21H26ClN3O3S2 MolecularWeight: 468.03244

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCCC(=O)NCC3=CC=CC=C3Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCCC(=O)NCC3=CC=CC=C3Cl

InChI

InChI=1S/C21H26ClN3O3S2/c22-19-8-4-3-7-17(19)15-23-20(26)11-14-29-21-10-9-18(16-24-21)30(27,28)25-12-5-1-2-6-13-25/h3-4,7-10,16H,1-2,5-6,11-15H2,(H,23,26)