N-[(4-methylsulfanylphenyl)methyl]-3-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide

Systemtic Name: N-[(4-methylsulfanylphenyl)methyl]-3-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide Openeye Name: N-[(4-methylsulfanylphenyl)methyl]-3-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide CAS Name: N-[[4-(methylthio)phenyl]methyl]-3-[5-(1-pyrrolidinylsulfonyl)-1-indolyl]propanamide IUPAC Name: N-[(4-methylsulfanylphenyl)methyl]-3-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide Traditional Name: N-[4-(methylthio)benzyl]-3-(5-pyrrolidinosulfonylindol-1-yl)propionamide Formula: C23H27N3O3S2 MolecularWeight: 457.60878

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CNC(=O)CCN2C=CC3=C2C=CC(=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CSC1=CC=C(C=C1)CNC(=O)CCN2C=CC3=C2C=CC(=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C23H27N3O3S2/c1-30-20-6-4-18(5-7-20)17-24-23(27)11-15-25-14-10-19-16-21(8-9-22(19)25)31(28,29)26-12-2-3-13-26/h4-10,14,16H,2-3,11-13,15,17H2,1H3,(H,24,27)