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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O5S/c24-20(17-5-2-6-18(13-17)23(25)26)21-9-11-22(12-10-21)29(27,28)19-8-7-15-3-1-4-16(15)14-19/h2,5-8,13-14H,1,3-4,9-12H2