2-chloranyl-N-[(4-methylsulfanylphenyl)methyl]-5-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: 2-chloranyl-N-[(4-methylsulfanylphenyl)methyl]-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 2-chloro-N-[(4-methylsulfanylphenyl)methyl]-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 2-chloro-N-[[4-(methylthio)phenyl]methyl]-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 2-chloro-N-[(4-methylsulfanylphenyl)methyl]-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 2-chloro-N-[4-(methylthio)benzyl]-5-pyrrolidinosulfonyl-benzamide Formula: C19H21ClN2O3S2 MolecularWeight: 424.96464

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl

Isomeric SMILES

CSC1=CC=C(C=C1)CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl

InChI

InChI=1S/C19H21ClN2O3S2/c1-26-15-6-4-14(5-7-15)13-21-19(23)17-12-16(8-9-18(17)20)27(24,25)22-10-2-3-11-22/h4-9,12H,2-3,10-11,13H2,1H3,(H,21,23)