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

Systemtic Name: 1-methyl-N-(4-methylsulfanylphenyl)-4-morpholin-4-ylsulfonyl-pyrrole-2-carboxamide Openeye Name: 1-methyl-N-(4-methylsulfanylphenyl)-4-morpholinosulfonyl-pyrrole-2-carboxamide CAS Name: 1-methyl-N-[4-(methylthio)phenyl]-4-(4-morpholinylsulfonyl)-2-pyrrolecarboxamide IUPAC Name: 1-methyl-N-(4-methylsulfanylphenyl)-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide Traditional Name: 1-methyl-N-[4-(methylthio)phenyl]-4-morpholinosulfonyl-pyrrole-2-carboxamide Formula: C17H21N3O4S2 MolecularWeight: 395.49634

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NC2=CC=C(C=C2)SC)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CN1C=C(C=C1C(=O)NC2=CC=C(C=C2)SC)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C17H21N3O4S2/c1-19-12-15(26(22,23)20-7-9-24-10-8-20)11-16(19)17(21)18-13-3-5-14(25-2)6-4-13/h3-6,11-12H,7-10H2,1-2H3,(H,18,21)