1-methyl-4-morpholin-4-ylsulfonyl-N-(2-phenylsulfanylethyl)pyrrole-2-carboxamide

Systemtic Name: 1-methyl-4-morpholin-4-ylsulfonyl-N-(2-phenylsulfanylethyl)pyrrole-2-carboxamide Openeye Name: 1-methyl-4-morpholinosulfonyl-N-(2-phenylsulfanylethyl)pyrrole-2-carboxamide CAS Name: 1-methyl-4-(4-morpholinylsulfonyl)-N-[2-(phenylthio)ethyl]-2-pyrrolecarboxamide IUPAC Name: 1-methyl-4-morpholin-4-ylsulfonyl-N-(2-phenylsulfanylethyl)pyrrole-2-carboxamide Traditional Name: 1-methyl-4-morpholinosulfonyl-N-[2-(phenylthio)ethyl]pyrrole-2-carboxamide Formula: C18H23N3O4S2 MolecularWeight: 409.52292

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NCCSC2=CC=CC=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CN1C=C(C=C1C(=O)NCCSC2=CC=CC=C2)S(=O)(=O)N3CCOCC3

InChI

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