4-[(4-but-2-ynoxyphenyl)sulfonylmethyl]piperidine-1,4-dicarboxylic acid

Systemtic Name: 4-[(4-but-2-ynoxyphenyl)sulfonylmethyl]piperidine-1,4-dicarboxylic acid Openeye Name: 4-[(4-but-2-ynoxyphenyl)sulfonylmethyl]piperidine-1,4-dicarboxylic acid CAS Name: 4-[(4-but-2-ynoxyphenyl)sulfonylmethyl]piperidine-1,4-dicarboxylic acid IUPAC Name: 4-[(4-but-2-ynoxyphenyl)sulfonylmethyl]piperidine-1,4-dicarboxylic acid Traditional Name: 4-[(4-but-2-ynoxyphenyl)sulfonylmethyl]piperidine-1,4-dicarboxylic acid Formula: C18H21NO7S MolecularWeight: 395.42684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO7S/c1-2-3-12-26-14-4-6-15(7-5-14)27(24,25)13-18(16(20)21)8-10-19(11-9-18)17(22)23/h4-7H,8-13H2,1H3,(H,20,21)(H,22,23)