2-azanyl-3-(4-but-2-ynoxyphenyl)sulfonyl-3-methyl-2-(2-morpholin-4-ylethyl)butanoic acid

Systemtic Name: 2-azanyl-3-(4-but-2-ynoxyphenyl)sulfonyl-3-methyl-2-(2-morpholin-4-ylethyl)butanoic acid Openeye Name: 2-amino-3-(4-but-2-ynoxyphenyl)sulfonyl-3-methyl-2-(2-morpholinoethyl)butanoic acid CAS Name: 2-amino-3-(4-but-2-ynoxyphenyl)sulfonyl-3-methyl-2-[2-(4-morpholinyl)ethyl]butanoic acid IUPAC Name: 2-amino-3-(4-but-2-ynoxyphenyl)sulfonyl-3-methyl-2-(2-morpholin-4-ylethyl)butanoic acid Traditional Name: 2-amino-3-(4-but-2-ynoxyphenyl)sulfonyl-3-methyl-2-(2-morpholinoethyl)butyric acid Formula: C21H30N2O6S MolecularWeight: 438.5377

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)C(C)(C)C(CCN2CCOCC2)(C(=O)O)N

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)C(C)(C)C(CCN2CCOCC2)(C(=O)O)N

InChI

InChI=1S/C21H30N2O6S/c1-4-5-14-29-17-6-8-18(9-7-17)30(26,27)20(2,3)21(22,19(24)25)10-11-23-12-15-28-16-13-23/h6-9H,10-16,22H2,1-3H3,(H,24,25)