4-methoxy-N-(2-methylsulfanylphenyl)-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: 4-methoxy-N-(2-methylsulfanylphenyl)-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 4-methoxy-N-(2-methylsulfanylphenyl)-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 4-methoxy-N-[2-(methylthio)phenyl]-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 4-methoxy-N-(2-methylsulfanylphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 4-methoxy-N-[2-(methylthio)phenyl]-3-pyrrolidinosulfonyl-benzamide Formula: C19H22N2O4S2 MolecularWeight: 406.51898

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2SC)S(=O)(=O)N3CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2SC)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C19H22N2O4S2/c1-25-16-10-9-14(13-18(16)27(23,24)21-11-5-6-12-21)19(22)20-15-7-3-4-8-17(15)26-2/h3-4,7-10,13H,5-6,11-12H2,1-2H3,(H,20,22)