(3,4-dimethoxyphenyl)-[(3S)-1-(phenylmethyl)sulfonylpiperidin-3-yl]methanone

Systemtic Name: (3,4-dimethoxyphenyl)-[(3S)-1-(phenylmethyl)sulfonylpiperidin-3-yl]methanone Openeye Name: [(3S)-1-benzylsulfonyl-3-piperidyl]-(3,4-dimethoxyphenyl)methanone CAS Name: (3,4-dimethoxyphenyl)-[(3S)-1-(phenylmethyl)sulfonyl-3-piperidinyl]methanone IUPAC Name: [(3S)-1-benzylsulfonylpiperidin-3-yl]-(3,4-dimethoxyphenyl)methanone Traditional Name: [(3S)-1-benzylsulfonyl-3-piperidyl]-(3,4-dimethoxyphenyl)methanone Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)[C@H]2CCCN(C2)S(=O)(=O)CC3=CC=CC=C3)OC

InChI

InChI=1S/C21H25NO5S/c1-26-19-11-10-17(13-20(19)27-2)21(23)18-9-6-12-22(14-18)28(24,25)15-16-7-4-3-5-8-16/h3-5,7-8,10-11,13,18H,6,9,12,14-15H2,1-2H3/t18-/m0/s1