N-[2-(hydroxymethyl)-3-thiophen-3-yl-propyl]-1-methyl-4-morpholin-4-ylsulfonyl-pyrrole-2-carboxamide

Systemtic Name: N-[2-(hydroxymethyl)-3-thiophen-3-yl-propyl]-1-methyl-4-morpholin-4-ylsulfonyl-pyrrole-2-carboxamide Openeye Name: N-[2-(hydroxymethyl)-3-(3-thienyl)propyl]-1-methyl-4-morpholinosulfonyl-pyrrole-2-carboxamide CAS Name: N-[2-(hydroxymethyl)-3-(3-thiophenyl)propyl]-1-methyl-4-(4-morpholinylsulfonyl)-2-pyrrolecarboxamide IUPAC Name: N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide Traditional Name: 1-methyl-N-[2-methylol-3-(3-thienyl)propyl]-4-morpholinosulfonyl-pyrrole-2-carboxamide Formula: C18H25N3O5S2 MolecularWeight: 427.5382

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NCC(CC2=CSC=C2)CO)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CN1C=C(C=C1C(=O)NCC(CC2=CSC=C2)CO)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C18H25N3O5S2/c1-20-11-16(28(24,25)21-3-5-26-6-4-21)9-17(20)18(23)19-10-15(12-22)8-14-2-7-27-13-14/h2,7,9,11,13,15,22H,3-6,8,10,12H2,1H3,(H,19,23)