1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butane-1,4-dione

Systemtic Name: 1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butane-1,4-dione Openeye Name: 1-(4-indan-5-ylsulfonylpiperazin-1-yl)-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butane-1,4-dione CAS Name: 1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazinyl]-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butane-1,4-dione IUPAC Name: 1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butane-1,4-dione Traditional Name: 1-(4-indan-5-ylsulfonylpiperazino)-4-(3-phenyl-2-pyrazolin-1-yl)butane-1,4-dione Formula: C26H30N4O4S MolecularWeight: 494.6058

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)CCC(=O)N4CCC(=N4)C5=CC=CC=C5

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)CCC(=O)N4CCC(=N4)C5=CC=CC=C5

InChI

InChI=1S/C26H30N4O4S/c31-25(11-12-26(32)30-14-13-24(27-30)21-5-2-1-3-6-21)28-15-17-29(18-16-28)35(33,34)23-10-9-20-7-4-8-22(20)19-23/h1-3,5-6,9-10,19H,4,7-8,11-18H2