6-(4-methylphenyl)sulfonyl-1H-perimidine

Systemtic Name: 6-(4-methylphenyl)sulfonyl-1H-perimidine Openeye Name: 6-(p-tolylsulfonyl)-1H-perimidine CAS Name: 6-(4-methylphenyl)sulfonyl-1H-perimidine IUPAC Name: 6-(4-methylphenyl)sulfonyl-1H-perimidine Traditional Name: 6-tosyl-1H-perimidine Formula: C18H14N2O2S MolecularWeight: 322.38096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C3C=CC=C4C3=C(C=C2)N=CN4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C3C=CC=C4C3=C(C=C2)N=CN4

InChI

InChI=1S/C18H14N2O2S/c1-12-5-7-13(8-6-12)23(21,22)17-10-9-16-18-14(17)3-2-4-15(18)19-11-20-16/h2-11H,1H3,(H,19,20)