6-(2-azanyl-2-oxidanylidene-ethyl)-4-(4-but-2-ynoxyphenyl)sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid

Systemtic Name: 6-(2-azanyl-2-oxidanylidene-ethyl)-4-(4-but-2-ynoxyphenyl)sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid Openeye Name: 6-(2-amino-2-oxo-ethyl)-4-(4-but-2-ynoxyphenyl)sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid CAS Name: 6-(2-amino-2-oxoethyl)-4-(4-but-2-ynoxyphenyl)sulfonyl-2,2-dimethyl-3-thiomorpholinecarboxylic acid IUPAC Name: 6-(2-amino-2-oxoethyl)-4-(4-but-2-ynoxyphenyl)sulfonyl-2,2-dimethylthiomorpholine-3-carboxylic acid Traditional Name: 6-(2-amino-2-keto-ethyl)-4-(4-but-2-ynoxyphenyl)sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid Formula: C19H24N2O6S2 MolecularWeight: 440.53366

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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)CC(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C19H24N2O6S2/c1-4-5-10-27-13-6-8-15(9-7-13)29(25,26)21-12-14(11-16(20)22)28-19(2,3)17(21)18(23)24/h6-9,14,17H,10-12H2,1-3H3,(H2,20,22)(H,23,24)