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

Systemtic Name: [4-(4-methylphenyl)sulfonyl-7-(phenylcarbonyl)-1,4,7-triazonan-1-yl]-phenyl-methanone Openeye Name: [4-benzoyl-7-(p-tolylsulfonyl)-1,4,7-triazonan-1-yl]-phenyl-methanone CAS Name: [4-benzoyl-7-(4-methylphenyl)sulfonyl-1,4,7-triazonan-1-yl]-phenylmethanone IUPAC Name: [4-benzoyl-7-(4-methylphenyl)sulfonyl-1,4,7-triazonan-1-yl]-phenylmethanone Traditional Name: (4-benzoyl-7-tosyl-1,4,7-triazonan-1-yl)-phenyl-methanone Formula: C27H29N3O4S MolecularWeight: 491.60186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29N3O4S/c1-22-12-14-25(15-13-22)35(33,34)30-20-18-28(26(31)23-8-4-2-5-9-23)16-17-29(19-21-30)27(32)24-10-6-3-7-11-24/h2-15H,16-21H2,1H3