1-methyl-N-(3-methylsulfanylphenyl)-4-pyrrolidin-1-ylsulfonyl-pyrrole-2-carboxamide

Systemtic Name: 1-methyl-N-(3-methylsulfanylphenyl)-4-pyrrolidin-1-ylsulfonyl-pyrrole-2-carboxamide Openeye Name: 1-methyl-N-(3-methylsulfanylphenyl)-4-pyrrolidin-1-ylsulfonyl-pyrrole-2-carboxamide CAS Name: 1-methyl-N-[3-(methylthio)phenyl]-4-(1-pyrrolidinylsulfonyl)-2-pyrrolecarboxamide IUPAC Name: 1-methyl-N-(3-methylsulfanylphenyl)-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide Traditional Name: 1-methyl-N-[3-(methylthio)phenyl]-4-pyrrolidinosulfonyl-pyrrole-2-carboxamide Formula: C17H21N3O3S2 MolecularWeight: 379.49694

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NC2=CC(=CC=C2)SC)S(=O)(=O)N3CCCC3

Isomeric SMILES

CN1C=C(C=C1C(=O)NC2=CC(=CC=C2)SC)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C17H21N3O3S2/c1-19-12-15(25(22,23)20-8-3-4-9-20)11-16(19)17(21)18-13-6-5-7-14(10-13)24-2/h5-7,10-12H,3-4,8-9H2,1-2H3,(H,18,21)