(1R,5S)-4-[[4-(aminomethyl)phenyl]carbamoyl]-6-oxidanylidene-4,7-diazabicyclo[3.2.0]heptane-7-sulfonic acid

Systemtic Name: (1R,5S)-4-[[4-(aminomethyl)phenyl]carbamoyl]-6-oxidanylidene-4,7-diazabicyclo[3.2.0]heptane-7-sulfonic acid Openeye Name: (1R,5S)-4-[[4-(aminomethyl)phenyl]carbamoyl]-6-oxo-4,7-diazabicyclo[3.2.0]heptane-7-sulfonic acid CAS Name: (1R,5S)-4-[[4-(aminomethyl)anilino]-oxomethyl]-6-oxo-4,7-diazabicyclo[3.2.0]heptane-7-sulfonic acid IUPAC Name: (1R,5S)-4-[[4-(aminomethyl)phenyl]carbamoyl]-6-oxo-4,7-diazabicyclo[3.2.0]heptane-7-sulfonic acid Traditional Name: (1R,5S)-4-[[4-(aminomethyl)phenyl]carbamoyl]-6-keto-4,7-diazabicyclo[3.2.0]heptane-7-sulfonic acid Formula: C13H16N4O5S MolecularWeight: 340.35494

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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)CN

Isomeric SMILES

C1CN([C@H]2[C@@H]1N(C2=O)S(=O)(=O)O)C(=O)NC3=CC=C(C=C3)CN

InChI

InChI=1S/C13H16N4O5S/c14-7-8-1-3-9(4-2-8)15-13(19)16-6-5-10-11(16)12(18)17(10)23(20,21)22/h1-4,10-11H,5-7,14H2,(H,15,19)(H,20,21,22)/t10-,11+/m1/s1