(2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(1H-1,2,4-triazol-5-yl)pentanimidate

Systemtic Name: (2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(1H-1,2,4-triazol-5-yl)pentanimidate Openeye Name: (2S)-4-methyl-2-(p-tolylsulfonylamino)-N-(1H-1,2,4-triazol-5-yl)pentanimidate CAS Name: (2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(1H-1,2,4-triazol-5-yl)pentanimidate IUPAC Name: (2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(1H-1,2,4-triazol-5-yl)pentanimidate Traditional Name: (2S)-4-methyl-2-(tosylamino)-N-(1H-1,2,4-triazol-5-yl)valerimidate Formula: C15H20N5O3S- MolecularWeight: 350.416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC(C)C)C(=NC2=NC=NN2)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC(C)C)C(=NC2=NC=NN2)[O-]

InChI

InChI=1S/C15H21N5O3S/c1-10(2)8-13(14(21)18-15-16-9-17-19-15)20-24(22,23)12-6-4-11(3)5-7-12/h4-7,9-10,13,20H,8H2,1-3H3,(H2,16,17,18,19,21)/p-1/t13-/m0/s1