1-(5-tert-butyl-2-methyl-phenyl)sulfonyl-N-(1H-1,2,4-triazol-5-yl)piperidine-4-carboximidate

Systemtic Name: 1-(5-tert-butyl-2-methyl-phenyl)sulfonyl-N-(1H-1,2,4-triazol-5-yl)piperidine-4-carboximidate Openeye Name: 1-(5-tert-butyl-2-methyl-phenyl)sulfonyl-N-(1H-1,2,4-triazol-5-yl)piperidine-4-carboximidate CAS Name: 1-(5-tert-butyl-2-methylphenyl)sulfonyl-N-(1H-1,2,4-triazol-5-yl)-4-piperidinecarboximidate IUPAC Name: 1-(5-tert-butyl-2-methylphenyl)sulfonyl-N-(1H-1,2,4-triazol-5-yl)piperidine-4-carboximidate Traditional Name: 1-(5-tert-butyl-2-methyl-phenyl)sulfonyl-N-(1H-1,2,4-triazol-5-yl)piperidine-4-carboximidate Formula: C19H26N5O3S- MolecularWeight: 404.50644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)(C)C)S(=O)(=O)N2CCC(CC2)C(=NC3=NC=NN3)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(C)(C)C)S(=O)(=O)N2CCC(CC2)C(=NC3=NC=NN3)[O-]

InChI

InChI=1S/C19H27N5O3S/c1-13-5-6-15(19(2,3)4)11-16(13)28(26,27)24-9-7-14(8-10-24)17(25)22-18-20-12-21-23-18/h5-6,11-12,14H,7-10H2,1-4H3,(H2,20,21,22,23,25)/p-1