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

Systemtic Name: [4-(4-methylphenyl)sulfonyl-1,4,7-triazonan-1-yl]-phenyl-methanone Openeye Name: phenyl-[4-(p-tolylsulfonyl)-1,4,7-triazonan-1-yl]methanone CAS Name: [4-(4-methylphenyl)sulfonyl-1,4,7-triazonan-1-yl]-phenylmethanone IUPAC Name: [4-(4-methylphenyl)sulfonyl-1,4,7-triazonan-1-yl]-phenylmethanone Traditional Name: phenyl-(4-tosyl-1,4,7-triazonan-1-yl)methanone Formula: C20H25N3O3S MolecularWeight: 387.4958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCNCCN(CC2)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCNCCN(CC2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H25N3O3S/c1-17-7-9-19(10-8-17)27(25,26)23-14-12-21-11-13-22(15-16-23)20(24)18-5-3-2-4-6-18/h2-10,21H,11-16H2,1H3