2-[4-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-butyl]isoindole-1,3-dione

Systemtic Name: 2-[4-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-butyl]isoindole-1,3-dione Openeye Name: 2-[4-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-4-oxo-butyl]isoindoline-1,3-dione CAS Name: 2-[4-[4-(4-ethoxyphenyl)sulfonyl-1-piperazinyl]-4-oxobutyl]isoindole-1,3-dione IUPAC Name: 2-[4-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-4-oxobutyl]isoindole-1,3-dione Traditional Name: 2-[4-keto-4-(4-p-phenetylsulfonylpiperazino)butyl]isoindoline-1,3-quinone Formula: C24H27N3O6S MolecularWeight: 485.55268

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C24H27N3O6S/c1-2-33-18-9-11-19(12-10-18)34(31,32)26-16-14-25(15-17-26)22(28)8-5-13-27-23(29)20-6-3-4-7-21(20)24(27)30/h3-4,6-7,9-12H,2,5,8,13-17H2,1H3