2-(2-bromoethylsulfanylmethyl)-2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3,3-dimethyl-butanoic acid

Systemtic Name: 2-(2-bromoethylsulfanylmethyl)-2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3,3-dimethyl-butanoic acid Openeye Name: 2-(2-bromoethylsulfanylmethyl)-2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3,3-dimethyl-butanoic acid CAS Name: 2-[(2-bromoethylthio)methyl]-2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3,3-dimethylbutanoic acid IUPAC Name: 2-(2-bromoethylsulfanylmethyl)-2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3,3-dimethylbutanoic acid Traditional Name: 2-[(2-bromoethylthio)methyl]-2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3,3-dimethyl-butyric acid Formula: C19H26BrNO5S2 MolecularWeight: 492.44744

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)NC(CSCCBr)(C(=O)O)C(C)(C)C

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)NC(CSCCBr)(C(=O)O)C(C)(C)C

InChI

InChI=1S/C19H26BrNO5S2/c1-5-6-12-26-15-7-9-16(10-8-15)28(24,25)21-19(17(22)23,18(2,3)4)14-27-13-11-20/h7-10,21H,11-14H2,1-4H3,(H,22,23)