2-[4-(4-but-2-ynoxyphenyl)sulfonyl-6,6-dimethyl-5-(phenylmethoxycarbamoyl)thiomorpholin-2-yl]ethanoic acid

Systemtic Name: 2-[4-(4-but-2-ynoxyphenyl)sulfonyl-6,6-dimethyl-5-(phenylmethoxycarbamoyl)thiomorpholin-2-yl]ethanoic acid Openeye Name: 2-[5-(benzyloxycarbamoyl)-4-(4-but-2-ynoxyphenyl)sulfonyl-6,6-dimethyl-thiomorpholin-2-yl]acetic acid CAS Name: 2-[4-(4-but-2-ynoxyphenyl)sulfonyl-6,6-dimethyl-5-[oxo-(phenylmethoxyamino)methyl]-2-thiomorpholinyl]acetic acid IUPAC Name: 2-[4-(4-but-2-ynoxyphenyl)sulfonyl-6,6-dimethyl-5-(phenylmethoxycarbamoyl)thiomorpholin-2-yl]acetic acid Traditional Name: 2-[5-(benzoxycarbamoyl)-4-(4-but-2-ynoxyphenyl)sulfonyl-6,6-dimethyl-thiomorpholin-2-yl]acetic acid Formula: C26H30N2O7S2 MolecularWeight: 546.6556

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CC(SC(C2C(=O)NOCC3=CC=CC=C3)(C)C)CC(=O)O

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CC(SC(C2C(=O)NOCC3=CC=CC=C3)(C)C)CC(=O)O

InChI

InChI=1S/C26H30N2O7S2/c1-4-5-15-34-20-11-13-22(14-12-20)37(32,33)28-17-21(16-23(29)30)36-26(2,3)24(28)25(31)27-35-18-19-9-7-6-8-10-19/h6-14,21,24H,15-18H2,1-3H3,(H,27,31)(H,29,30)