sodium (1R,5S)-4-[[4-(aminocarbonylamino)phenyl]carbamoyl]-6-oxidanylidene-4,7-diazabicyclo[3.2.0]heptane-7-sulfonate

Systemtic Name: sodium (1R,5S)-4-[[4-(aminocarbonylamino)phenyl]carbamoyl]-6-oxidanylidene-4,7-diazabicyclo[3.2.0]heptane-7-sulfonate Openeye Name: sodium (1R,5S)-6-oxo-4-[(4-ureidophenyl)carbamoyl]-4,7-diazabicyclo[3.2.0]heptane-7-sulfonate CAS Name: sodium (1R,5S)-4-[[4-(carbamoylamino)anilino]-oxomethyl]-6-oxo-4,7-diazabicyclo[3.2.0]heptane-7-sulfonate IUPAC Name: sodium (1R,5S)-4-[[4-(carbamoylamino)phenyl]carbamoyl]-6-oxo-4,7-diazabicyclo[3.2.0]heptane-7-sulfonate Traditional Name: sodium (1R,5S)-6-keto-4-[(4-ureidophenyl)carbamoyl]-4,7-diazabicyclo[3.2.0]heptane-7-sulfonate Formula: C13H14N5NaO6S MolecularWeight: 391.33493

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2C1N(C2=O)S(=O)(=O)[O-])C(=O)NC3=CC=C(C=C3)NC(=O)N.[Na+]

Isomeric SMILES

C1CN([C@H]2[C@@H]1N(C2=O)S(=O)(=O)[O-])C(=O)NC3=CC=C(C=C3)NC(=O)N.[Na+]

InChI

InChI=1S/C13H15N5O6S.Na/c14-12(20)15-7-1-3-8(4-2-7)16-13(21)17-6-5-9-10(17)11(19)18(9)25(22,23)24;/h1-4,9-10H,5-6H2,(H,16,21)(H3,14,15,20)(H,22,23,24);/q;+1/p-1/t9-,10+;/m1./s1