propan-2-yl (1R,3S)-1-phenyl-3-(phenylmethoxycarbonylamino)butane-1-sulfonate

Systemtic Name: propan-2-yl (1R,3S)-1-phenyl-3-(phenylmethoxycarbonylamino)butane-1-sulfonate Openeye Name: isopropyl (1R,3S)-3-(benzyloxycarbonylamino)-1-phenyl-butane-1-sulfonate CAS Name: (1R,3S)-1-phenyl-3-(phenylmethoxycarbonylamino)-1-butanesulfonic acid IUPAC Name: propan-2-yl (1R,3S)-1-phenyl-3-(phenylmethoxycarbonylamino)butane-1-sulfonate Traditional Name: (1R,3S)-3-(benzyloxycarbonylamino)-1-phenyl-butane-1-sulfonic acid isopropyl ester Formula: C21H27NO5S MolecularWeight: 405.50778

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OS(=O)(=O)C(CC(C)NC(=O)OCC1=CC=CC=C1)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO5S/c1-16(2)27-28(24,25)20(19-12-8-5-9-13-19)14-17(3)22-21(23)26-15-18-10-6-4-7-11-18/h4-13,16-17,20H,14-15H2,1-3H3,(H,22,23)/t17-,20+/m0/s1