N-(1H-1,2,4-triazol-5-yl)-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboximidate

Systemtic Name: N-(1H-1,2,4-triazol-5-yl)-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboximidate Openeye Name: N-(1H-1,2,4-triazol-5-yl)-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboximidate CAS Name: N-(1H-1,2,4-triazol-5-yl)-1-(2,4,6-trimethylphenyl)sulfonyl-4-piperidinecarboximidate IUPAC Name: N-(1H-1,2,4-triazol-5-yl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboximidate Traditional Name: 1-mesitylsulfonyl-N-(1H-1,2,4-triazol-5-yl)piperidine-4-carboximidate Formula: C17H22N5O3S- MolecularWeight: 376.45328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N5O3S/c1-11-8-12(2)15(13(3)9-11)26(24,25)22-6-4-14(5-7-22)16(23)20-17-18-10-19-21-17/h8-10,14H,4-7H2,1-3H3,(H2,18,19,20,21,23)/p-1