methyl 2-[4-[2-(1,3-benzodioxol-5-yl)ethylcarbamoyl]piperidin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 2-[4-[2-(1,3-benzodioxol-5-yl)ethylcarbamoyl]piperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[[4-[2-(1,3-benzodioxol-5-yl)ethylcarbamoyl]-1-piperidyl]sulfonyl]benzoate CAS Name: 2-[[4-[[2-(1,3-benzodioxol-5-yl)ethylamino]-oxomethyl]-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[2-(1,3-benzodioxol-5-yl)ethylcarbamoyl]piperidin-1-yl]sulfonylbenzoate Traditional Name: 2-[4-(homopiperonylcarbamoyl)piperidino]sulfonylbenzoic acid methyl ester Formula: C23H26N2O7S MolecularWeight: 474.52674

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)NCCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)NCCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H26N2O7S/c1-30-23(27)18-4-2-3-5-21(18)33(28,29)25-12-9-17(10-13-25)22(26)24-11-8-16-6-7-19-20(14-16)32-15-31-19/h2-7,14,17H,8-13,15H2,1H3,(H,24,26)