4-(4-but-2-ynoxyphenyl)sulfonylpiperidine-1,4-dicarboxylic acid

Systemtic Name: 4-(4-but-2-ynoxyphenyl)sulfonylpiperidine-1,4-dicarboxylic acid Openeye Name: 4-(4-but-2-ynoxyphenyl)sulfonylpiperidine-1,4-dicarboxylic acid CAS Name: 4-(4-but-2-ynoxyphenyl)sulfonylpiperidine-1,4-dicarboxylic acid IUPAC Name: 4-(4-but-2-ynoxyphenyl)sulfonylpiperidine-1,4-dicarboxylic acid Traditional Name: 4-(4-but-2-ynoxyphenyl)sulfonylpiperidine-1,4-dicarboxylic acid Formula: C17H19NO7S MolecularWeight: 381.40026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19NO7S/c1-2-3-12-25-13-4-6-14(7-5-13)26(23,24)17(15(19)20)8-10-18(11-9-17)16(21)22/h4-7H,8-12H2,1H3,(H,19,20)(H,21,22)