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

Systemtic Name: 4-morpholin-4-ylsulfonyl-N-[2-(phenylmethylsulfanyl)ethyl]-1H-pyrrole-2-carboxamide Openeye Name: N-(2-benzylsulfanylethyl)-4-morpholinosulfonyl-1H-pyrrole-2-carboxamide CAS Name: 4-(4-morpholinylsulfonyl)-N-[2-(phenylmethylthio)ethyl]-1H-pyrrole-2-carboxamide IUPAC Name: N-(2-benzylsulfanylethyl)-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide Traditional Name: N-[2-(benzylthio)ethyl]-4-morpholinosulfonyl-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)NCCSCC3=CC=CC=C3

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CNC(=C2)C(=O)NCCSCC3=CC=CC=C3

InChI

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