4-(4-but-2-ynoxyphenyl)sulfonyl-1-propan-2-yl-piperidine-4-carboxylic acid

Systemtic Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-propan-2-yl-piperidine-4-carboxylic acid Openeye Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-isopropyl-piperidine-4-carboxylic acid CAS Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-propan-2-yl-4-piperidinecarboxylic acid IUPAC Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-propan-2-ylpiperidine-4-carboxylic acid Traditional Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-isopropyl-isonipecotic acid Formula: C19H25NO5S MolecularWeight: 379.4705

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)C2(CCN(CC2)C(C)C)C(=O)O

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)C2(CCN(CC2)C(C)C)C(=O)O

InChI

InChI=1S/C19H25NO5S/c1-4-5-14-25-16-6-8-17(9-7-16)26(23,24)19(18(21)22)10-12-20(13-11-19)15(2)3/h6-9,15H,10-14H2,1-3H3,(H,21,22)