[4,7-bis-(4-methylphenyl)sulfonyl-1,4,7-triazonan-1-yl]-phenyl-methanone

Systemtic Name: [4,7-bis-(4-methylphenyl)sulfonyl-1,4,7-triazonan-1-yl]-phenyl-methanone Openeye Name: [4,7-bis(p-tolylsulfonyl)-1,4,7-triazonan-1-yl]-phenyl-methanone CAS Name: [4,7-bis-(4-methylphenyl)sulfonyl-1,4,7-triazonan-1-yl]-phenylmethanone IUPAC Name: [4,7-bis-(4-methylphenyl)sulfonyl-1,4,7-triazonan-1-yl]-phenylmethanone Traditional Name: (4,7-ditosyl-1,4,7-triazonan-1-yl)-phenyl-methanone Formula: C27H31N3O5S2 MolecularWeight: 541.68214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)C(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H31N3O5S2/c1-22-8-12-25(13-9-22)36(32,33)29-18-16-28(27(31)24-6-4-3-5-7-24)17-19-30(21-20-29)37(34,35)26-14-10-23(2)11-15-26/h3-15H,16-21H2,1-2H3