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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC(=CC=C1)NC(=O)C2=CC(=CN2C)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CCCNC(=O)C1=CC(=CC=C1)NC(=O)C2=CC(=CN2C)S(=O)(=O)N3CCCCC3

InChI

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