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

Systemtic Name: [4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-[2-(methylamino)-5-nitro-phenyl]methanone Openeye Name: (4-indan-5-ylsulfonylpiperazin-1-yl)-[2-(methylamino)-5-nitro-phenyl]methanone CAS Name: [4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazinyl]-[2-(methylamino)-5-nitrophenyl]methanone IUPAC Name: [4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-[2-(methylamino)-5-nitrophenyl]methanone Traditional Name: (4-indan-5-ylsulfonylpiperazino)-[2-(methylamino)-5-nitro-phenyl]methanone Formula: C21H24N4O5S MolecularWeight: 444.50406

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3

Isomeric SMILES

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3

InChI

InChI=1S/C21H24N4O5S/c1-22-20-8-6-17(25(27)28)14-19(20)21(26)23-9-11-24(12-10-23)31(29,30)18-7-5-15-3-2-4-16(15)13-18/h5-8,13-14,22H,2-4,9-12H2,1H3