1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-(3-methyl-5-nitro-imidazol-4-yl)piperazine

Systemtic Name: 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-(3-methyl-5-nitro-imidazol-4-yl)piperazine Openeye Name: 1-indan-5-ylsulfonyl-4-(3-methyl-5-nitro-imidazol-4-yl)piperazine CAS Name: 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-(3-methyl-5-nitro-4-imidazolyl)piperazine IUPAC Name: 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-(3-methyl-5-nitroimidazol-4-yl)piperazine Traditional Name: 1-indan-5-ylsulfonyl-4-(3-methyl-5-nitro-imidazol-4-yl)piperazine Formula: C17H21N5O4S MolecularWeight: 391.44474

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=C1N2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C=NC(=C1N2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H21N5O4S/c1-19-12-18-16(22(23)24)17(19)20-7-9-21(10-8-20)27(25,26)15-6-5-13-3-2-4-14(13)11-15/h5-6,11-12H,2-4,7-10H2,1H3