4-morpholin-4-ylsulfonyl-N-(3-phenylsulfanylpropyl)-1H-pyrrole-2-carboxamide

Systemtic Name: 4-morpholin-4-ylsulfonyl-N-(3-phenylsulfanylpropyl)-1H-pyrrole-2-carboxamide Openeye Name: 4-morpholinosulfonyl-N-(3-phenylsulfanylpropyl)-1H-pyrrole-2-carboxamide CAS Name: 4-(4-morpholinylsulfonyl)-N-[3-(phenylthio)propyl]-1H-pyrrole-2-carboxamide IUPAC Name: 4-morpholin-4-ylsulfonyl-N-(3-phenylsulfanylpropyl)-1H-pyrrole-2-carboxamide Traditional Name: 4-morpholinosulfonyl-N-[3-(phenylthio)propyl]-1H-pyrrole-2-carboxamide Formula: C18H23N3O4S2 MolecularWeight: 409.52292

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CNC(=C2)C(=O)NCCCSC3=CC=CC=C3

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CNC(=C2)C(=O)NCCCSC3=CC=CC=C3

InChI

InChI=1S/C18H23N3O4S2/c22-18(19-7-4-12-26-15-5-2-1-3-6-15)17-13-16(14-20-17)27(23,24)21-8-10-25-11-9-21/h1-3,5-6,13-14,20H,4,7-12H2,(H,19,22)