6-(bromomethyl)-4-(4-but-2-ynoxyphenyl)sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylate

Systemtic Name: 6-(bromomethyl)-4-(4-but-2-ynoxyphenyl)sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylate Openeye Name: 6-(bromomethyl)-4-(4-but-2-ynoxyphenyl)sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylate CAS Name: 6-(bromomethyl)-4-(4-but-2-ynoxyphenyl)sulfonyl-2,2-dimethyl-3-thiomorpholinecarboxylate IUPAC Name: 6-(bromomethyl)-4-(4-but-2-ynoxyphenyl)sulfonyl-2,2-dimethylthiomorpholine-3-carboxylate Traditional Name: 6-(bromomethyl)-4-(4-but-2-ynoxyphenyl)sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylate Formula: C18H21BrNO5S2- MolecularWeight: 475.39704

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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)CBr

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CC(SC(C2C(=O)[O-])(C)C)CBr

InChI

InChI=1S/C18H22BrNO5S2/c1-4-5-10-25-13-6-8-15(9-7-13)27(23,24)20-12-14(11-19)26-18(2,3)16(20)17(21)22/h6-9,14,16H,10-12H2,1-3H3,(H,21,22)/p-1