4-(4-methoxyphenyl)-1-[(E)-4-phenylbut-1-en-3-ynyl]sulfonyl-piperidine

Systemtic Name: 4-(4-methoxyphenyl)-1-[(E)-4-phenylbut-1-en-3-ynyl]sulfonyl-piperidine Openeye Name: 4-(4-methoxyphenyl)-1-[(E)-4-phenylbut-1-en-3-ynyl]sulfonyl-piperidine CAS Name: 4-(4-methoxyphenyl)-1-[(E)-4-phenylbut-1-en-3-ynyl]sulfonylpiperidine IUPAC Name: 4-(4-methoxyphenyl)-1-[(E)-4-phenylbut-1-en-3-ynyl]sulfonylpiperidine Traditional Name: 4-(4-methoxyphenyl)-1-[(E)-4-phenylbut-1-en-3-ynyl]sulfonyl-piperidine Formula: C22H23NO3S MolecularWeight: 381.48792

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCN(CC2)S(=O)(=O)C=CC#CC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)C2CCN(CC2)S(=O)(=O)/C=C/C#CC3=CC=CC=C3

InChI

InChI=1S/C22H23NO3S/c1-26-22-12-10-20(11-13-22)21-14-16-23(17-15-21)27(24,25)18-6-5-9-19-7-3-2-4-8-19/h2-4,6-8,10-13,18,21H,14-17H2,1H3/b18-6+