2-methoxy-N-(3-methylsulfanylphenyl)-5-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: 2-methoxy-N-(3-methylsulfanylphenyl)-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 2-methoxy-N-(3-methylsulfanylphenyl)-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 2-methoxy-N-[3-(methylthio)phenyl]-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 2-methoxy-N-(3-methylsulfanylphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 2-methoxy-N-[3-(methylthio)phenyl]-5-pyrrolidinosulfonyl-benzamide Formula: C19H22N2O4S2 MolecularWeight: 406.51898

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)NC3=CC(=CC=C3)SC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)NC3=CC(=CC=C3)SC

InChI

InChI=1S/C19H22N2O4S2/c1-25-18-9-8-16(27(23,24)21-10-3-4-11-21)13-17(18)19(22)20-14-6-5-7-15(12-14)26-2/h5-9,12-13H,3-4,10-11H2,1-2H3,(H,20,22)