4-(4-but-2-ynoxyphenyl)sulfonyl-2,2-dimethyl-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]thiomorpholine-3-carboxylic acid

Systemtic Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-2,2-dimethyl-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]thiomorpholine-3-carboxylic acid Openeye Name: 6-[(tert-butoxycarbonylamino)methyl]-4-(4-but-2-ynoxyphenyl)sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid CAS Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-2,2-dimethyl-6-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]-3-thiomorpholinecarboxylic acid IUPAC Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-2,2-dimethyl-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]thiomorpholine-3-carboxylic acid Traditional Name: 6-[(tert-butoxycarbonylamino)methyl]-4-(4-but-2-ynoxyphenyl)sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid Formula: C23H32N2O7S2 MolecularWeight: 512.63938

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CC(SC(C2C(=O)O)(C)C)CNC(=O)OC(C)(C)C

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CC(SC(C2C(=O)O)(C)C)CNC(=O)OC(C)(C)C

InChI

InChI=1S/C23H32N2O7S2/c1-7-8-13-31-16-9-11-18(12-10-16)34(29,30)25-15-17(14-24-21(28)32-22(2,3)4)33-23(5,6)19(25)20(26)27/h9-12,17,19H,13-15H2,1-6H3,(H,24,28)(H,26,27)