2-[(4-but-2-ynoxyphenyl)sulfonyl-(2-morpholin-4-ylethyl)amino]-3-methyl-butanoic acid

Systemtic Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-(2-morpholin-4-ylethyl)amino]-3-methyl-butanoic acid Openeye Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-(2-morpholinoethyl)amino]-3-methyl-butanoic acid CAS Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-[2-(4-morpholinyl)ethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-(2-morpholin-4-ylethyl)amino]-3-methylbutanoic acid Traditional Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-(2-morpholinoethyl)amino]-3-methyl-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)N(CCN2CCOCC2)C(C(C)C)C(=O)O

Isomeric SMILES

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

InChI

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