2-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[[4-(4-ethoxyphenyl)sulfonyl-1-piperazinyl]methyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-4-nitroisoindole-1,3-dione Traditional Name: 4-nitro-2-[(4-p-phenetylsulfonylpiperazino)methyl]isoindoline-1,3-quinone Formula: C21H22N4O7S MolecularWeight: 474.48698

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O7S/c1-2-32-15-6-8-16(9-7-15)33(30,31)23-12-10-22(11-13-23)14-24-20(26)17-4-3-5-18(25(28)29)19(17)21(24)27/h3-9H,2,10-14H2,1H3