methyl 4-(4-but-2-ynoxyphenyl)sulfonyl-2,2-dimethyl-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]thiomorpholine-3-carboxylate

Systemtic Name: methyl 4-(4-but-2-ynoxyphenyl)sulfonyl-2,2-dimethyl-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]thiomorpholine-3-carboxylate Openeye Name: methyl 6-[(tert-butoxycarbonylamino)methyl]-4-(4-but-2-ynoxyphenyl)sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylate CAS Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-2,2-dimethyl-6-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]-3-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-but-2-ynoxyphenyl)sulfonyl-2,2-dimethyl-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]thiomorpholine-3-carboxylate Traditional Name: 6-[(tert-butoxycarbonylamino)methyl]-4-(4-but-2-ynoxyphenyl)sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid methyl ester Formula: C24H34N2O7S2 MolecularWeight: 526.66596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H34N2O7S2/c1-8-9-14-32-17-10-12-19(13-11-17)35(29,30)26-16-18(15-25-22(28)33-23(2,3)4)34-24(5,6)20(26)21(27)31-7/h10-13,18,20H,14-16H2,1-7H3,(H,25,28)