4-[(4-methylphenyl)sulfanylmethyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide

Systemtic Name: 4-[(4-methylphenyl)sulfanylmethyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide Openeye Name: 4-(p-tolylsulfanylmethyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide CAS Name: 4-[[(4-methylphenyl)thio]methyl]-N-[4-(1-pyrrolidinylsulfonyl)phenyl]benzamide IUPAC Name: 4-[(4-methylphenyl)sulfanylmethyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide Traditional Name: 4-[(p-tolylthio)methyl]-N-(4-pyrrolidinosulfonylphenyl)benzamide Formula: C25H26N2O3S2 MolecularWeight: 466.61554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C25H26N2O3S2/c1-19-4-12-23(13-5-19)31-18-20-6-8-21(9-7-20)25(28)26-22-10-14-24(15-11-22)32(29,30)27-16-2-3-17-27/h4-15H,2-3,16-18H2,1H3,(H,26,28)