N-[1-(4-methylsulfanylphenyl)ethyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide

Systemtic Name: N-[1-(4-methylsulfanylphenyl)ethyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide Openeye Name: N-[1-(4-methylsulfanylphenyl)ethyl]-4-morpholinosulfonyl-1H-pyrrole-2-carboxamide CAS Name: N-[1-[4-(methylthio)phenyl]ethyl]-4-(4-morpholinylsulfonyl)-1H-pyrrole-2-carboxamide IUPAC Name: N-[1-(4-methylsulfanylphenyl)ethyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide Traditional Name: N-[1-[4-(methylthio)phenyl]ethyl]-4-morpholinosulfonyl-1H-pyrrole-2-carboxamide Formula: C18H23N3O4S2 MolecularWeight: 409.52292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)SC)NC(=O)C2=CC(=CN2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC(C1=CC=C(C=C1)SC)NC(=O)C2=CC(=CN2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C18H23N3O4S2/c1-13(14-3-5-15(26-2)6-4-14)20-18(22)17-11-16(12-19-17)27(23,24)21-7-9-25-10-8-21/h3-6,11-13,19H,7-10H2,1-2H3,(H,20,22)