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

Systemtic Name: 1-methyl-4-morpholin-4-ylsulfonyl-N-[2-(phenylmethylsulfanyl)ethyl]pyrrole-2-carboxamide Openeye Name: N-(2-benzylsulfanylethyl)-1-methyl-4-morpholinosulfonyl-pyrrole-2-carboxamide CAS Name: 1-methyl-4-(4-morpholinylsulfonyl)-N-[2-(phenylmethylthio)ethyl]-2-pyrrolecarboxamide IUPAC Name: N-(2-benzylsulfanylethyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide Traditional Name: N-[2-(benzylthio)ethyl]-1-methyl-4-morpholinosulfonyl-pyrrole-2-carboxamide Formula: C19H25N3O4S2 MolecularWeight: 423.5495

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NCCSCC2=CC=CC=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CN1C=C(C=C1C(=O)NCCSCC2=CC=CC=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C19H25N3O4S2/c1-21-14-17(28(24,25)22-8-10-26-11-9-22)13-18(21)19(23)20-7-12-27-15-16-5-3-2-4-6-16/h2-6,13-14H,7-12,15H2,1H3,(H,20,23)