N-but-2-ynyl-4-methyl-N-[[2-(4-methylphenyl)sulfonyl-1,3,5,7a-tetrahydroisoindol-4-yl]methyl]benzenesulfonamide

Systemtic Name: N-but-2-ynyl-4-methyl-N-[[2-(4-methylphenyl)sulfonyl-1,3,5,7a-tetrahydroisoindol-4-yl]methyl]benzenesulfonamide Openeye Name: N-but-2-ynyl-4-methyl-N-[[2-(p-tolylsulfonyl)-1,3,5,7a-tetrahydroisoindol-4-yl]methyl]benzenesulfonamide CAS Name: N-but-2-ynyl-4-methyl-N-[[2-(4-methylphenyl)sulfonyl-1,3,5,7a-tetrahydroisoindol-4-yl]methyl]benzenesulfonamide IUPAC Name: N-but-2-ynyl-4-methyl-N-[[2-(4-methylphenyl)sulfonyl-1,3,5,7a-tetrahydroisoindol-4-yl]methyl]benzenesulfonamide Traditional Name: N-but-2-ynyl-4-methyl-N-[(2-tosyl-1,3,5,7a-tetrahydroisoindol-4-yl)methyl]benzenesulfonamide Formula: C27H30N2O4S2 MolecularWeight: 510.6681

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN(CC1=C2CN(CC2C=CC1)S(=O)(=O)C3=CC=C(C=C3)C)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC#CCN(CC1=C2CN(CC2C=CC1)S(=O)(=O)C3=CC=C(C=C3)C)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C27H30N2O4S2/c1-4-5-17-28(34(30,31)25-13-9-21(2)10-14-25)18-23-7-6-8-24-19-29(20-27(23)24)35(32,33)26-15-11-22(3)12-16-26/h6,8-16,24H,7,17-20H2,1-3H3