(1R,2S)-2-(phenylmethoxycarbonylamino)cyclohexane-1-sulfonic acid

Systemtic Name: (1R,2S)-2-(phenylmethoxycarbonylamino)cyclohexane-1-sulfonic acid Openeye Name: (1R,2S)-2-(benzyloxycarbonylamino)cyclohexanesulfonic acid CAS Name: (1R,2S)-2-(phenylmethoxycarbonylamino)-1-cyclohexanesulfonic acid IUPAC Name: (1R,2S)-2-(phenylmethoxycarbonylamino)cyclohexane-1-sulfonic acid Traditional Name: (1R,2S)-2-(benzyloxycarbonylamino)cyclohexanesulfonic acid Formula: C14H19NO5S MolecularWeight: 313.36936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)NC(=O)OCC2=CC=CC=C2)S(=O)(=O)O

Isomeric SMILES

C1CC[C@H]([C@H](C1)NC(=O)OCC2=CC=CC=C2)S(=O)(=O)O

InChI

InChI=1S/C14H19NO5S/c16-14(20-10-11-6-2-1-3-7-11)15-12-8-4-5-9-13(12)21(17,18)19/h1-3,6-7,12-13H,4-5,8-10H2,(H,15,16)(H,17,18,19)/t12-,13+/m0/s1