2-[2-[4-(diphenylmethyl)piperazin-1-yl]sulfonylethyl]-5-methyl-isoindole-1,3-dione

Systemtic Name: 2-[2-[4-(diphenylmethyl)piperazin-1-yl]sulfonylethyl]-5-methyl-isoindole-1,3-dione Openeye Name: 2-[2-(4-benzhydrylpiperazin-1-yl)sulfonylethyl]-5-methyl-isoindoline-1,3-dione CAS Name: 2-[2-[[4-(diphenylmethyl)-1-piperazinyl]sulfonyl]ethyl]-5-methylisoindole-1,3-dione IUPAC Name: 2-[2-(4-benzhydrylpiperazin-1-yl)sulfonylethyl]-5-methylisoindole-1,3-dione Traditional Name: 2-[2-(4-benzhydrylpiperazino)sulfonylethyl]-5-methyl-isoindoline-1,3-quinone Formula: C28H29N3O4S MolecularWeight: 503.61256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)N(C2=O)CCS(=O)(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)N(C2=O)CCS(=O)(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H29N3O4S/c1-21-12-13-24-25(20-21)28(33)31(27(24)32)18-19-36(34,35)30-16-14-29(15-17-30)26(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-13,20,26H,14-19H2,1H3