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

Systemtic Name: 1,3-benzodioxol-5-yl 4-[(3S)-3-methylpiperidin-1-yl]sulfonylthiophene-2-carboxylate Openeye Name: 1,3-benzodioxol-5-yl 4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]thiophene-2-carboxylate CAS Name: 4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]-2-thiophenecarboxylic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 4-[(3S)-3-methylpiperidin-1-yl]sulfonylthiophene-2-carboxylate Traditional Name: 4-[(3S)-3-methylpiperidino]sulfonylthiophene-2-carboxylic acid 1,3-benzodioxol-5-yl ester Formula: C18H19NO6S2 MolecularWeight: 409.47656

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CSC(=C2)C(=O)OC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CSC(=C2)C(=O)OC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H19NO6S2/c1-12-3-2-6-19(9-12)27(21,22)14-8-17(26-10-14)18(20)25-13-4-5-15-16(7-13)24-11-23-15/h4-5,7-8,10,12H,2-3,6,9,11H2,1H3/t12-/m0/s1