3-(4-methylphenyl)sulfonyl-2-[(1-phenyl-1,2,3-triazol-4-yl)carbonyl]cyclohexan-1-one

Systemtic Name: 3-(4-methylphenyl)sulfonyl-2-[(1-phenyl-1,2,3-triazol-4-yl)carbonyl]cyclohexan-1-one Openeye Name: 2-(1-phenyltriazole-4-carbonyl)-3-(p-tolylsulfonyl)cyclohexanone CAS Name: 3-(4-methylphenyl)sulfonyl-2-[oxo-(1-phenyl-4-triazolyl)methyl]-1-cyclohexanone IUPAC Name: 3-(4-methylphenyl)sulfonyl-2-(1-phenyltriazole-4-carbonyl)cyclohexan-1-one Traditional Name: 2-(1-phenyltriazole-4-carbonyl)-3-tosyl-cyclohexanone Formula: C22H21N3O4S MolecularWeight: 423.48484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2CCCC(=O)C2C(=O)C3=CN(N=N3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2CCCC(=O)C2C(=O)C3=CN(N=N3)C4=CC=CC=C4

InChI

InChI=1S/C22H21N3O4S/c1-15-10-12-17(13-11-15)30(28,29)20-9-5-8-19(26)21(20)22(27)18-14-25(24-23-18)16-6-3-2-4-7-16/h2-4,6-7,10-14,20-21H,5,8-9H2,1H3