methyl 5-[4-[(7-chloranyl-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl]sulfonylthiophene-3-carboxylate

Systemtic Name: methyl 5-[4-[(7-chloranyl-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl]sulfonylthiophene-3-carboxylate Openeye Name: methyl 5-[4-[(7-chloro-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl]sulfonylthiophene-3-carboxylate CAS Name: 5-[[4-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-1-piperazinyl]sulfonyl]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[4-[(7-chloro-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl]sulfonylthiophene-3-carboxylate Traditional Name: 5-[4-[(7-chloro-1,3-benzodioxol-5-yl)methyl]piperazino]sulfonylthiophene-3-carboxylic acid methyl ester Formula: C18H19ClN2O6S2 MolecularWeight: 458.93626

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CSC(=C1)S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C(=C3)Cl)OCO4

Isomeric SMILES

COC(=O)C1=CSC(=C1)S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C(=C3)Cl)OCO4

InChI

InChI=1S/C18H19ClN2O6S2/c1-25-18(22)13-8-16(28-10-13)29(23,24)21-4-2-20(3-5-21)9-12-6-14(19)17-15(7-12)26-11-27-17/h6-8,10H,2-5,9,11H2,1H3