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

Systemtic Name: 2,3-dihydro-1H-inden-5-yl-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: indan-5-yl-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]methanone CAS Name: 2,3-dihydro-1H-inden-5-yl-[4-(4-methoxy-3-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: 2,3-dihydro-1H-inden-5-yl-[4-(4-methoxy-3-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: indan-5-yl-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazino]methanone Formula: C21H23N3O6S MolecularWeight: 445.48882

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=C(CCC4)C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=C(CCC4)C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O6S/c1-30-20-8-7-18(14-19(20)24(26)27)31(28,29)23-11-9-22(10-12-23)21(25)17-6-5-15-3-2-4-16(15)13-17/h5-8,13-14H,2-4,9-12H2,1H3