1-methyl-4-piperidin-1-ylsulfonyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrrole-2-carboxamide

Systemtic Name: 1-methyl-4-piperidin-1-ylsulfonyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrrole-2-carboxamide Openeye Name: 1-methyl-4-(1-piperidylsulfonyl)-N-[(4-pyrazol-1-ylphenyl)methyl]pyrrole-2-carboxamide CAS Name: 1-methyl-4-(1-piperidinylsulfonyl)-N-[[4-(1-pyrazolyl)phenyl]methyl]-2-pyrrolecarboxamide IUPAC Name: 1-methyl-4-piperidin-1-ylsulfonyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrrole-2-carboxamide Traditional Name: 1-methyl-4-piperidinosulfonyl-N-(4-pyrazol-1-ylbenzyl)pyrrole-2-carboxamide Formula: C21H25N5O3S MolecularWeight: 427.5199

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NCC2=CC=C(C=C2)N3C=CC=N3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CN1C=C(C=C1C(=O)NCC2=CC=C(C=C2)N3C=CC=N3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C21H25N5O3S/c1-24-16-19(30(28,29)25-11-3-2-4-12-25)14-20(24)21(27)22-15-17-6-8-18(9-7-17)26-13-5-10-23-26/h5-10,13-14,16H,2-4,11-12,15H2,1H3,(H,22,27)