1-(2,4-dimethylphenyl)sulfonyl-N-(1H-1,2,4-triazol-5-yl)piperidine-4-carboximidate

Systemtic Name: 1-(2,4-dimethylphenyl)sulfonyl-N-(1H-1,2,4-triazol-5-yl)piperidine-4-carboximidate Openeye Name: 1-(2,4-dimethylphenyl)sulfonyl-N-(1H-1,2,4-triazol-5-yl)piperidine-4-carboximidate CAS Name: 1-(2,4-dimethylphenyl)sulfonyl-N-(1H-1,2,4-triazol-5-yl)-4-piperidinecarboximidate IUPAC Name: 1-(2,4-dimethylphenyl)sulfonyl-N-(1H-1,2,4-triazol-5-yl)piperidine-4-carboximidate Traditional Name: 1-(2,4-dimethylphenyl)sulfonyl-N-(1H-1,2,4-triazol-5-yl)piperidine-4-carboximidate Formula: C16H20N5O3S- MolecularWeight: 362.4267

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N5O3S/c1-11-3-4-14(12(2)9-11)25(23,24)21-7-5-13(6-8-21)15(22)19-16-17-10-18-20-16/h3-4,9-10,13H,5-8H2,1-2H3,(H2,17,18,19,20,22)/p-1