2-(4-but-2-ynoxyphenyl)-2-methyl-3-sulfonyl-piperidine-1,4-dicarboxylic acid

Systemtic Name: 2-(4-but-2-ynoxyphenyl)-2-methyl-3-sulfonyl-piperidine-1,4-dicarboxylic acid Openeye Name: 2-(4-but-2-ynoxyphenyl)-2-methyl-3-sulfonyl-piperidine-1,4-dicarboxylic acid CAS Name: 2-(4-but-2-ynoxyphenyl)-2-methyl-3-sulfonylpiperidine-1,4-dicarboxylic acid IUPAC Name: 2-(4-but-2-ynoxyphenyl)-2-methyl-3-sulfonylpiperidine-1,4-dicarboxylic acid Traditional Name: 2-(4-but-2-ynoxyphenyl)-2-methyl-3-sulfonyl-piperidine-1,4-dicarboxylic acid Formula: C18H19NO7S MolecularWeight: 393.41096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)C2(C(=S(=O)=O)C(CCN2C(=O)O)C(=O)O)C

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)C2(C(=S(=O)=O)C(CCN2C(=O)O)C(=O)O)C

InChI

InChI=1S/C18H19NO7S/c1-3-4-11-26-13-7-5-12(6-8-13)18(2)15(27(24)25)14(16(20)21)9-10-19(18)17(22)23/h5-8,14H,9-11H2,1-2H3,(H,20,21)(H,22,23)