N-[2-(4-methylphenyl)sulfanylethyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide

Systemtic Name: N-[2-(4-methylphenyl)sulfanylethyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide Openeye Name: 4-morpholinosulfonyl-N-[2-(p-tolylsulfanyl)ethyl]-1H-pyrrole-2-carboxamide CAS Name: N-[2-[(4-methylphenyl)thio]ethyl]-4-(4-morpholinylsulfonyl)-1H-pyrrole-2-carboxamide IUPAC Name: N-[2-(4-methylphenyl)sulfanylethyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide Traditional Name: 4-morpholinosulfonyl-N-[2-(p-tolylthio)ethyl]-1H-pyrrole-2-carboxamide Formula: C18H23N3O4S2 MolecularWeight: 409.52292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)C2=CC(=CN2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)C2=CC(=CN2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C18H23N3O4S2/c1-14-2-4-15(5-3-14)26-11-6-19-18(22)17-12-16(13-20-17)27(23,24)21-7-9-25-10-8-21/h2-5,12-13,20H,6-11H2,1H3,(H,19,22)