[azanyl-[(3S)-3-[(4-methylphenyl)carbonylamino]-2-oxidanylidene-piperidin-1-yl]phosphoryl]sulfamic acid

Systemtic Name: [azanyl-[(3S)-3-[(4-methylphenyl)carbonylamino]-2-oxidanylidene-piperidin-1-yl]phosphoryl]sulfamic acid Openeye Name: [amino-[(3S)-3-[(4-methylbenzoyl)amino]-2-oxo-1-piperidyl]phosphoryl]sulfamic acid CAS Name: [amino-[(3S)-3-[[(4-methylphenyl)-oxomethyl]amino]-2-oxo-1-piperidinyl]phosphoryl]sulfamic acid IUPAC Name: [amino-[(3S)-3-[(4-methylbenzoyl)amino]-2-oxopiperidin-1-yl]phosphoryl]sulfamic acid Traditional Name: [amino-[(3S)-2-keto-3-(p-toluoylamino)piperidino]phosphoryl]sulfamic acid Formula: C13H19N4O6PS MolecularWeight: 390.351921

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2CCCN(C2=O)P(=O)(N)NS(=O)(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N[C@H]2CCCN(C2=O)P(=O)(N)NS(=O)(=O)O

InChI

InChI=1S/C13H19N4O6PS/c1-9-4-6-10(7-5-9)12(18)15-11-3-2-8-17(13(11)19)24(14,20)16-25(21,22)23/h4-7,11H,2-3,8H2,1H3,(H,15,18)(H3,14,16,20)(H,21,22,23)/t11-,24?/m0/s1