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

Systemtic Name: [4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-(5-ethoxy-4-methoxy-2-nitro-phenyl)methanone Openeye Name: (5-ethoxy-4-methoxy-2-nitro-phenyl)-(4-indan-5-ylsulfonylpiperazin-1-yl)methanone CAS Name: [4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazinyl]-(5-ethoxy-4-methoxy-2-nitrophenyl)methanone IUPAC Name: [4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-(5-ethoxy-4-methoxy-2-nitrophenyl)methanone Traditional Name: (5-ethoxy-4-methoxy-2-nitro-phenyl)-(4-indan-5-ylsulfonylpiperazino)methanone Formula: C23H27N3O7S MolecularWeight: 489.54138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C23H27N3O7S/c1-3-33-22-14-19(20(26(28)29)15-21(22)32-2)23(27)24-9-11-25(12-10-24)34(30,31)18-8-7-16-5-4-6-17(16)13-18/h7-8,13-15H,3-6,9-12H2,1-2H3