1,3-benzodioxol-5-yl 4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate

Systemtic Name: 1,3-benzodioxol-5-yl 4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate Openeye Name: 1,3-benzodioxol-5-yl 4-[[(2S)-2-methyl-1-piperidyl]sulfonyl]benzoate CAS Name: 4-[[(2S)-2-methyl-1-piperidinyl]sulfonyl]benzoic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 4-[(2S)-2-methylpiperidino]sulfonylbenzoic acid 1,3-benzodioxol-5-yl ester Formula: C20H21NO6S MolecularWeight: 403.44884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)OC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C[C@H]1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)OC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H21NO6S/c1-14-4-2-3-11-21(14)28(23,24)17-8-5-15(6-9-17)20(22)27-16-7-10-18-19(12-16)26-13-25-18/h5-10,12,14H,2-4,11,13H2,1H3/t14-/m0/s1