sodium N-[azanyl-[(3S)-3-[(4-bromophenyl)carbonylamino]-2-oxidanylidene-piperidin-1-yl]phosphoryl]sulfamate

Systemtic Name: sodium N-[azanyl-[(3S)-3-[(4-bromophenyl)carbonylamino]-2-oxidanylidene-piperidin-1-yl]phosphoryl]sulfamate Openeye Name: sodium N-[amino-[(3S)-3-[(4-bromobenzoyl)amino]-2-oxo-1-piperidyl]phosphoryl]sulfamate CAS Name: sodium N-[amino-[(3S)-3-[[(4-bromophenyl)-oxomethyl]amino]-2-oxo-1-piperidinyl]phosphoryl]sulfamate IUPAC Name: sodium N-[amino-[(3S)-3-[(4-bromobenzoyl)amino]-2-oxopiperidin-1-yl]phosphoryl]sulfamate Traditional Name: sodium N-[amino-[(3S)-3-[(4-bromobenzoyl)amino]-2-keto-piperidino]phosphoryl]sulfamate Formula: C12H15BrN4NaO6PS MolecularWeight: 477.203231

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)N(C1)P(=O)(N)NS(=O)(=O)[O-])NC(=O)C2=CC=C(C=C2)Br.[Na+]

Isomeric SMILES

C1C[C@@H](C(=O)N(C1)[P@](=O)(N)NS(=O)(=O)[O-])NC(=O)C2=CC=C(C=C2)Br.[Na+]

InChI

InChI=1S/C12H16BrN4O6PS.Na/c13-9-5-3-8(4-6-9)11(18)15-10-2-1-7-17(12(10)19)24(14,20)16-25(21,22)23;/h3-6,10H,1-2,7H2,(H,15,18)(H3,14,16,20)(H,21,22,23);/q;+1/p-1/t10-,24-;/m0./s1