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

Systemtic Name: 2,3-dihydro-1H-inden-5-yl-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: indan-5-yl-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methanone CAS Name: 2,3-dihydro-1H-inden-5-yl-[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: 2,3-dihydro-1H-inden-5-yl-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: indan-5-yl-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]methanone Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=C(CCC4)C=C3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=C(CCC4)C=C3

InChI

InChI=1S/C21H23N3O5S/c1-15-5-8-19(24(26)27)14-20(15)30(28,29)23-11-9-22(10-12-23)21(25)18-7-6-16-3-2-4-17(16)13-18/h5-8,13-14H,2-4,9-12H2,1H3