3-(4-but-2-ynoxyphenyl)-2-sulfonyl-morpholine-3-carboxylic acid

Systemtic Name: 3-(4-but-2-ynoxyphenyl)-2-sulfonyl-morpholine-3-carboxylic acid Openeye Name: 3-(4-but-2-ynoxyphenyl)-2-sulfonyl-morpholine-3-carboxylic acid CAS Name: 3-(4-but-2-ynoxyphenyl)-2-sulfonyl-3-morpholinecarboxylic acid IUPAC Name: 3-(4-but-2-ynoxyphenyl)-2-sulfonylmorpholine-3-carboxylic acid Traditional Name: 3-(4-but-2-ynoxyphenyl)-2-sulfonyl-morpholine-3-carboxylic acid Formula: C15H15NO6S MolecularWeight: 337.3477

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)C2(C(=S(=O)=O)OCCN2)C(=O)O

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)C2(C(=S(=O)=O)OCCN2)C(=O)O

InChI

InChI=1S/C15H15NO6S/c1-2-3-9-21-12-6-4-11(5-7-12)15(13(17)18)14(23(19)20)22-10-8-16-15/h4-7,16H,8-10H2,1H3,(H,17,18)