1-(5-aminocarbonyl-1-methyl-pyrrol-3-yl)sulfonyl-N-[[2-(methoxymethyl)phenyl]methyl]piperidine-4-carboxamide

Systemtic Name: 1-(5-aminocarbonyl-1-methyl-pyrrol-3-yl)sulfonyl-N-[[2-(methoxymethyl)phenyl]methyl]piperidine-4-carboxamide Openeye Name: 1-(5-carbamoyl-1-methyl-pyrrol-3-yl)sulfonyl-N-[[2-(methoxymethyl)phenyl]methyl]piperidine-4-carboxamide CAS Name: 1-[(5-carbamoyl-1-methyl-3-pyrrolyl)sulfonyl]-N-[[2-(methoxymethyl)phenyl]methyl]-4-piperidinecarboxamide IUPAC Name: 1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-[[2-(methoxymethyl)phenyl]methyl]piperidine-4-carboxamide Traditional Name: 1-(5-carbamoyl-1-methyl-pyrrol-3-yl)sulfonyl-N-[2-(methoxymethyl)benzyl]isonipecotamide Formula: C21H28N4O5S MolecularWeight: 448.53582

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=CC=C3COC

Isomeric SMILES

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=CC=C3COC

InChI

InChI=1S/C21H28N4O5S/c1-24-13-18(11-19(24)20(22)26)31(28,29)25-9-7-15(8-10-25)21(27)23-12-16-5-3-4-6-17(16)14-30-2/h3-6,11,13,15H,7-10,12,14H2,1-2H3,(H2,22,26)(H,23,27)