(4-pyrazol-1-ylphenyl)methyl 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxylate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxylate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 1-indan-5-ylsulfonylpiperidine-4-carboxylate CAS Name: 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-piperidinecarboxylic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxylate Traditional Name: 1-indan-5-ylsulfonylisonipecotic acid (4-pyrazol-1-ylbenzyl) ester Formula: C25H27N3O4S MolecularWeight: 465.56458

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)OCC4=CC=C(C=C4)N5C=CC=N5

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)OCC4=CC=C(C=C4)N5C=CC=N5

InChI

InChI=1S/C25H27N3O4S/c29-25(32-18-19-5-8-23(9-6-19)28-14-2-13-26-28)21-11-15-27(16-12-21)33(30,31)24-10-7-20-3-1-4-22(20)17-24/h2,5-10,13-14,17,21H,1,3-4,11-12,15-16,18H2