propan-2-yl (1R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenyl-butane-1-sulfonate

Systemtic Name: propan-2-yl (1R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenyl-butane-1-sulfonate Openeye Name: isopropyl (1R,3S)-3-(tert-butoxycarbonylamino)-1-phenyl-butane-1-sulfonate CAS Name: (1R,3S)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-phenyl-1-butanesulfonic acid IUPAC Name: propan-2-yl (1R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenylbutane-1-sulfonate Traditional Name: (1R,3S)-3-(tert-butoxycarbonylamino)-1-phenyl-butane-1-sulfonic acid isopropyl ester Formula: C18H29NO5S MolecularWeight: 371.49156

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OS(=O)(=O)C(CC(C)NC(=O)OC(C)(C)C)C1=CC=CC=C1

Isomeric SMILES

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

InChI

InChI=1S/C18H29NO5S/c1-13(2)24-25(21,22)16(15-10-8-7-9-11-15)12-14(3)19-17(20)23-18(4,5)6/h7-11,13-14,16H,12H2,1-6H3,(H,19,20)/t14-,16+/m0/s1