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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CN(C)C(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCCC3)C

Isomeric SMILES

CC1=CC(=C(C=C1)CN(C)C(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCCC3)C

InChI

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