[4-(diethylamino)but-2-ynylamino] 2-(4-but-2-ynoxyphenyl)sulfonyl-2,3-dimethyl-butanoate

Systemtic Name: [4-(diethylamino)but-2-ynylamino] 2-(4-but-2-ynoxyphenyl)sulfonyl-2,3-dimethyl-butanoate Openeye Name: [4-(diethylamino)but-2-ynylamino] 2-(4-but-2-ynoxyphenyl)sulfonyl-2,3-dimethyl-butanoate CAS Name: 2-(4-but-2-ynoxyphenyl)sulfonyl-2,3-dimethylbutanoic acid [4-(diethylamino)but-2-ynylamino] ester IUPAC Name: [4-(diethylamino)but-2-ynylamino] 2-(4-but-2-ynoxyphenyl)sulfonyl-2,3-dimethylbutanoate Traditional Name: 2-(4-but-2-ynoxyphenyl)sulfonyl-2,3-dimethyl-butyric acid [4-(diethylamino)but-2-ynylamino] ester Formula: C24H34N2O5S MolecularWeight: 462.60216

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC#CCNOC(=O)C(C)(C(C)C)S(=O)(=O)C1=CC=C(C=C1)OCC#CC

Isomeric SMILES

CCN(CC)CC#CCNOC(=O)C(C)(C(C)C)S(=O)(=O)C1=CC=C(C=C1)OCC#CC

InChI

InChI=1S/C24H34N2O5S/c1-7-10-19-30-21-13-15-22(16-14-21)32(28,29)24(6,20(4)5)23(27)31-25-17-11-12-18-26(8-2)9-3/h13-16,20,25H,8-9,17-19H2,1-6H3