1-(phenylmethyl)-3-(2,3,4-trimethoxyphenyl)sulfonyl-piperidine

Systemtic Name: 1-(phenylmethyl)-3-(2,3,4-trimethoxyphenyl)sulfonyl-piperidine Openeye Name: 1-benzyl-3-(2,3,4-trimethoxyphenyl)sulfonyl-piperidine CAS Name: 1-(phenylmethyl)-3-(2,3,4-trimethoxyphenyl)sulfonylpiperidine IUPAC Name: 1-benzyl-3-(2,3,4-trimethoxyphenyl)sulfonylpiperidine Traditional Name: 1-benzyl-3-(2,3,4-trimethoxyphenyl)sulfonyl-piperidine Formula: C21H27NO5S MolecularWeight: 405.50778

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)S(=O)(=O)C2CCCN(C2)CC3=CC=CC=C3)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)S(=O)(=O)C2CCCN(C2)CC3=CC=CC=C3)OC)OC

InChI

InChI=1S/C21H27NO5S/c1-25-18-11-12-19(21(27-3)20(18)26-2)28(23,24)17-10-7-13-22(15-17)14-16-8-5-4-6-9-16/h4-6,8-9,11-12,17H,7,10,13-15H2,1-3H3