N-[(4-methylsulfanylphenyl)methyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide

Systemtic Name: N-[(4-methylsulfanylphenyl)methyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide Openeye Name: N-[(4-methylsulfanylphenyl)methyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide CAS Name: N-[[4-(methylthio)phenyl]methyl]-3-[4-(1-pyrrolidinylsulfonyl)phenyl]benzamide IUPAC Name: N-[(4-methylsulfanylphenyl)methyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide Traditional Name: N-[4-(methylthio)benzyl]-3-(4-pyrrolidinosulfonylphenyl)benzamide Formula: C25H26N2O3S2 MolecularWeight: 466.61554

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CNC(=O)C2=CC=CC(=C2)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CSC1=CC=C(C=C1)CNC(=O)C2=CC=CC(=C2)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

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