4-[(4-but-2-ynoxyphenyl)sulfonylmethyl]-1-ethanoyl-piperidine-4-carbaldehyde

Systemtic Name: 4-[(4-but-2-ynoxyphenyl)sulfonylmethyl]-1-ethanoyl-piperidine-4-carbaldehyde Openeye Name: 1-acetyl-4-[(4-but-2-ynoxyphenyl)sulfonylmethyl]piperidine-4-carbaldehyde CAS Name: 1-acetyl-4-[(4-but-2-ynoxyphenyl)sulfonylmethyl]-4-piperidinecarboxaldehyde IUPAC Name: 1-acetyl-4-[(4-but-2-ynoxyphenyl)sulfonylmethyl]piperidine-4-carbaldehyde Traditional Name: 1-acetyl-4-[(4-but-2-ynoxyphenyl)sulfonylmethyl]isonipecotaldehyde Formula: C19H23NO5S MolecularWeight: 377.45462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23NO5S/c1-3-4-13-25-17-5-7-18(8-6-17)26(23,24)15-19(14-21)9-11-20(12-10-19)16(2)22/h5-8,14H,9-13,15H2,1-2H3