but-2-ynoxybenzene; methyl 2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-sulfonyl-thiomorpholin-4-ium-3-carboxylate

Systemtic Name: but-2-ynoxybenzene; methyl 2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-sulfonyl-thiomorpholin-4-ium-3-carboxylate Openeye Name: but-2-ynoxybenzene; methyl 3-(tert-butoxycarbonylamino)-2,2-dimethyl-4-sulfonyl-thiomorpholin-4-ium-3-carboxylate CAS Name: but-2-ynoxybenzene; 2,2-dimethyl-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-sulfonyl-3-thiomorpholin-4-iumcarboxylic acid methyl ester IUPAC Name: but-2-ynoxybenzene; methyl 2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-sulfonylthiomorpholin-4-ium-3-carboxylate Traditional Name: 3-(tert-butoxycarbonylamino)-2,2-dimethyl-4-sulfonyl-thiomorpholin-4-ium-3-carboxylic acid methyl ester; but-2-ynoxybenzene Formula: C23H33N2O7S2+ MolecularWeight: 513.64732

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=CC=C1.CC1(C([N+](=S(=O)=O)CCS1)(C(=O)OC)NC(=O)OC(C)(C)C)C

Isomeric SMILES

CC#CCOC1=CC=CC=C1.CC1(C([N+](=S(=O)=O)CCS1)(C(=O)OC)NC(=O)OC(C)(C)C)C

InChI

InChI=1S/C13H22N2O6S2.C10H10O/c1-11(2,3)21-10(17)14-13(9(16)20-6)12(4,5)22-8-7-15(13)23(18)19;1-2-3-9-11-10-7-5-4-6-8-10/h7-8H2,1-6H3;4-8H,9H2,1H3/p+1