1-(4-methylphenyl)sulfonyl-4-(phenylmethyl)-1,4,7-triazonane

Systemtic Name: 1-(4-methylphenyl)sulfonyl-4-(phenylmethyl)-1,4,7-triazonane Openeye Name: 1-benzyl-4-(p-tolylsulfonyl)-1,4,7-triazonane CAS Name: 1-(4-methylphenyl)sulfonyl-4-(phenylmethyl)-1,4,7-triazonane IUPAC Name: 1-benzyl-4-(4-methylphenyl)sulfonyl-1,4,7-triazonane Traditional Name: 1-benzyl-4-tosyl-1,4,7-triazonane Formula: C20H27N3O2S MolecularWeight: 373.51228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCNCCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCNCCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H27N3O2S/c1-18-7-9-20(10-8-18)26(24,25)23-14-12-21-11-13-22(15-16-23)17-19-5-3-2-4-6-19/h2-10,21H,11-17H2,1H3