N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(2,4-dimethylphenyl)sulfanyl-ethanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(2,4-dimethylphenyl)sulfanyl-ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(2,4-dimethylphenyl)sulfanyl-acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-2-[(2,4-dimethylphenyl)thio]acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-(2,4-dimethylphenyl)sulfanylacetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-[(2,4-dimethylphenyl)thio]acetamide Formula: C23H30N2O4S2 MolecularWeight: 462.6253

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)SCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC)C

InChI

InChI=1S/C23H30N2O4S2/c1-17-8-11-22(18(2)14-17)30-16-23(26)24-20-15-19(9-10-21(20)29-3)31(27,28)25-12-6-4-5-7-13-25/h8-11,14-15H,4-7,12-13,16H2,1-3H3,(H,24,26)