propan-2-yl (1R,3S)-1-(4-tert-butylphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butane-1-sulfonate

Systemtic Name: propan-2-yl (1R,3S)-1-(4-tert-butylphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butane-1-sulfonate Openeye Name: isopropyl (1R,3S)-3-(tert-butoxycarbonylamino)-1-(4-tert-butylphenyl)butane-1-sulfonate CAS Name: (1R,3S)-1-(4-tert-butylphenyl)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-butanesulfonic acid IUPAC Name: propan-2-yl (1R,3S)-1-(4-tert-butylphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butane-1-sulfonate Traditional Name: (1R,3S)-3-(tert-butoxycarbonylamino)-1-(4-tert-butylphenyl)butane-1-sulfonic acid isopropyl ester Formula: C22H37NO5S MolecularWeight: 427.59788

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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=C(C=C1)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H37NO5S/c1-15(2)28-29(25,26)19(14-16(3)23-20(24)27-22(7,8)9)17-10-12-18(13-11-17)21(4,5)6/h10-13,15-16,19H,14H2,1-9H3,(H,23,24)/t16-,19+/m0/s1