N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-(4-methylphenyl)sulfanyl-propanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-(4-methylphenyl)sulfanyl-propanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-(p-tolylsulfanyl)propanamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-3-[(4-methylphenyl)thio]propanamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3-(4-methylphenyl)sulfanylpropanamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-(p-tolylthio)propionamide Formula: C23H30N2O4S2 MolecularWeight: 462.6253

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O4S2/c1-18-7-9-19(10-8-18)30-16-13-23(26)24-21-17-20(11-12-22(21)29-2)31(27,28)25-14-5-3-4-6-15-25/h7-12,17H,3-6,13-16H2,1-2H3,(H,24,26)