1,3-benzodioxol-5-yl 2-methyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: 1,3-benzodioxol-5-yl 2-methyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: 1,3-benzodioxol-5-yl 2-methyl-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-methyl-5-(1-piperidinylsulfonyl)benzoic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 2-methyl-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-methyl-5-piperidinosulfonyl-benzoic acid 1,3-benzodioxol-5-yl ester Formula: C20H21NO6S MolecularWeight: 403.44884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)OC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)OC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H21NO6S/c1-14-5-7-16(28(23,24)21-9-3-2-4-10-21)12-17(14)20(22)27-15-6-8-18-19(11-15)26-13-25-18/h5-8,11-12H,2-4,9-10,13H2,1H3