2-[[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[(4-tetralin-6-ylsulfonylpiperazin-1-yl)methyl]isoindoline-1,3-dione CAS Name: 2-[[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1-piperazinyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[(4-tetralin-6-ylsulfonylpiperazino)methyl]isoindoline-1,3-quinone Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=CC(=C2)S(=O)(=O)N3CCN(CC3)CN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1CCC2=C(C1)C=CC(=C2)S(=O)(=O)N3CCN(CC3)CN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C23H25N3O4S/c27-22-20-7-3-4-8-21(20)23(28)26(22)16-24-11-13-25(14-12-24)31(29,30)19-10-9-17-5-1-2-6-18(17)15-19/h3-4,7-10,15H,1-2,5-6,11-14,16H2