1-(2,3-dihydro-1H-inden-5-yl)-4-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]butane-1,4-dione

Systemtic Name: 1-(2,3-dihydro-1H-inden-5-yl)-4-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]butane-1,4-dione Openeye Name: 1-indan-5-yl-4-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]butane-1,4-dione CAS Name: 1-(2,3-dihydro-1H-inden-5-yl)-4-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]butane-1,4-dione IUPAC Name: 1-(2,3-dihydro-1H-inden-5-yl)-4-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]butane-1,4-dione Traditional Name: 1-indan-5-yl-4-[4-(3-nitrophenyl)sulfonylpiperazino]butane-1,4-dione Formula: C23H25N3O6S MolecularWeight: 471.5261

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)C(=O)CCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)C(=O)CCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H25N3O6S/c27-22(19-8-7-17-3-1-4-18(17)15-19)9-10-23(28)24-11-13-25(14-12-24)33(31,32)21-6-2-5-20(16-21)26(29)30/h2,5-8,15-16H,1,3-4,9-14H2