4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate

Systemtic Name: 4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate Openeye Name: 4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate CAS Name: 4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate IUPAC Name: 4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate Traditional Name: 4-[(3S)-3-methylpiperidino]sulfonyl-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate Formula: C15H18N5O3S- MolecularWeight: 348.40012

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=NC3=NC=NN3)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=NC3=NC=NN3)[O-]

InChI

InChI=1S/C15H19N5O3S/c1-11-3-2-8-20(9-11)24(22,23)13-6-4-12(5-7-13)14(21)18-15-16-10-17-19-15/h4-7,10-11H,2-3,8-9H2,1H3,(H2,16,17,18,19,21)/p-1/t11-/m0/s1