methyl 3-[4-(1,3-benzodioxol-5-ylcarbamoyl)piperidin-1-yl]sulfonyl-4-chloranyl-benzoate

Systemtic Name: methyl 3-[4-(1,3-benzodioxol-5-ylcarbamoyl)piperidin-1-yl]sulfonyl-4-chloranyl-benzoate Openeye Name: methyl 3-[[4-(1,3-benzodioxol-5-ylcarbamoyl)-1-piperidyl]sulfonyl]-4-chloro-benzoate CAS Name: 3-[[4-[(1,3-benzodioxol-5-ylamino)-oxomethyl]-1-piperidinyl]sulfonyl]-4-chlorobenzoic acid methyl ester IUPAC Name: methyl 3-[4-(1,3-benzodioxol-5-ylcarbamoyl)piperidin-1-yl]sulfonyl-4-chlorobenzoate Traditional Name: 3-[4-(1,3-benzodioxol-5-ylcarbamoyl)piperidino]sulfonyl-4-chloro-benzoic acid methyl ester Formula: C21H21ClN2O7S MolecularWeight: 480.91864

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H21ClN2O7S/c1-29-21(26)14-2-4-16(22)19(10-14)32(27,28)24-8-6-13(7-9-24)20(25)23-15-3-5-17-18(11-15)31-12-30-17/h2-5,10-11,13H,6-9,12H2,1H3,(H,23,25)