N-[[3-(dimethylcarbamoyl)phenyl]methyl]-1-methyl-4-piperidin-1-ylsulfonyl-pyrrole-2-carboxamide

Systemtic Name: N-[[3-(dimethylcarbamoyl)phenyl]methyl]-1-methyl-4-piperidin-1-ylsulfonyl-pyrrole-2-carboxamide Openeye Name: N-[[3-(dimethylcarbamoyl)phenyl]methyl]-1-methyl-4-(1-piperidylsulfonyl)pyrrole-2-carboxamide CAS Name: N-[[3-[dimethylamino(oxo)methyl]phenyl]methyl]-1-methyl-4-(1-piperidinylsulfonyl)-2-pyrrolecarboxamide IUPAC Name: N-[[3-(dimethylcarbamoyl)phenyl]methyl]-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide Traditional Name: N-[3-(dimethylcarbamoyl)benzyl]-1-methyl-4-piperidinosulfonyl-pyrrole-2-carboxamide Formula: C21H28N4O4S MolecularWeight: 432.53642

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NCC2=CC=CC(=C2)C(=O)N(C)C)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CN1C=C(C=C1C(=O)NCC2=CC=CC(=C2)C(=O)N(C)C)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H28N4O4S/c1-23(2)21(27)17-9-7-8-16(12-17)14-22-20(26)19-13-18(15-24(19)3)30(28,29)25-10-5-4-6-11-25/h7-9,12-13,15H,4-6,10-11,14H2,1-3H3,(H,22,26)