1-methyl-4-morpholin-4-ylsulfonyl-N-[2-(phenylmethylsulfanyl)ethanoyl]pyrrole-2-carboxamide

Systemtic Name: 1-methyl-4-morpholin-4-ylsulfonyl-N-[2-(phenylmethylsulfanyl)ethanoyl]pyrrole-2-carboxamide Openeye Name: N-(2-benzylsulfanylacetyl)-1-methyl-4-morpholinosulfonyl-pyrrole-2-carboxamide CAS Name: 1-methyl-4-(4-morpholinylsulfonyl)-N-[1-oxo-2-(phenylmethylthio)ethyl]-2-pyrrolecarboxamide IUPAC Name: N-(2-benzylsulfanylacetyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide Traditional Name: N-[2-(benzylthio)acetyl]-1-methyl-4-morpholinosulfonyl-pyrrole-2-carboxamide Formula: C19H23N3O5S2 MolecularWeight: 437.53302

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NC(=O)CSCC2=CC=CC=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CN1C=C(C=C1C(=O)NC(=O)CSCC2=CC=CC=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C19H23N3O5S2/c1-21-12-16(29(25,26)22-7-9-27-10-8-22)11-17(21)19(24)20-18(23)14-28-13-15-5-3-2-4-6-15/h2-6,11-12H,7-10,13-14H2,1H3,(H,20,23,24)