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

Systemtic Name: 2,3-dihydro-1H-inden-5-yl-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: indan-5-yl-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone CAS Name: 2,3-dihydro-1H-inden-5-yl-[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: 2,3-dihydro-1H-inden-5-yl-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: indan-5-yl-[4-(2-nitrophenyl)sulfonylpiperazino]methanone Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O5S/c24-20(17-9-8-15-4-3-5-16(15)14-17)21-10-12-22(13-11-21)29(27,28)19-7-2-1-6-18(19)23(25)26/h1-2,6-9,14H,3-5,10-13H2