1-methyl-N-[2-(4-methylphenyl)sulfanylethanoyl]-4-morpholin-4-ylsulfonyl-pyrrole-2-carboxamide

Systemtic Name: 1-methyl-N-[2-(4-methylphenyl)sulfanylethanoyl]-4-morpholin-4-ylsulfonyl-pyrrole-2-carboxamide Openeye Name: 1-methyl-4-morpholinosulfonyl-N-[2-(p-tolylsulfanyl)acetyl]pyrrole-2-carboxamide CAS Name: 1-methyl-N-[2-[(4-methylphenyl)thio]-1-oxoethyl]-4-(4-morpholinylsulfonyl)-2-pyrrolecarboxamide IUPAC Name: 1-methyl-N-[2-(4-methylphenyl)sulfanylacetyl]-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide Traditional Name: 1-methyl-4-morpholinosulfonyl-N-[2-(p-tolylthio)acetyl]pyrrole-2-carboxamide Formula: C19H23N3O5S2 MolecularWeight: 437.53302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(=O)NC(=O)C2=CC(=CN2C)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=CC=C(C=C1)SCC(=O)NC(=O)C2=CC(=CN2C)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C19H23N3O5S2/c1-14-3-5-15(6-4-14)28-13-18(23)20-19(24)17-11-16(12-21(17)2)29(25,26)22-7-9-27-10-8-22/h3-6,11-12H,7-10,13H2,1-2H3,(H,20,23,24)