N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-methylphenyl)sulfanyl-propanamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-methylphenyl)sulfanyl-propanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(p-tolylsulfanyl)propanamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-[(4-methylphenyl)thio]propanamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-methylphenyl)sulfanylpropanamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(p-tolylthio)propionamide Formula: C22H28N2O3S2 MolecularWeight: 432.59932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O3S2/c1-17-7-11-20(12-8-17)28-18(2)22(25)23-19-9-13-21(14-10-19)29(26,27)24-15-5-3-4-6-16-24/h7-14,18H,3-6,15-16H2,1-2H3,(H,23,25)