1,3-benzodioxol-5-yl 4-methyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: 1,3-benzodioxol-5-yl 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: 1,3-benzodioxol-5-yl 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid 1,3-benzodioxol-5-yl ester Formula: C20H21NO6S MolecularWeight: 403.44884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC2=CC3=C(C=C2)OCO3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC2=CC3=C(C=C2)OCO3)S(=O)(=O)N4CCCCC4

InChI

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