4-[[3-(1,3-benzodioxol-5-ylmethylcarbamoyl)-5-chloranyl-thiophen-2-yl]carbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[3-(1,3-benzodioxol-5-ylmethylcarbamoyl)-5-chloranyl-thiophen-2-yl]carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[3-(1,3-benzodioxol-5-ylmethylcarbamoyl)-5-chloro-2-thienyl]carbamoyl]cyclohexanecarboxylic acid CAS Name: 4-[[[3-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]-5-chloro-2-thiophenyl]amino]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[3-(1,3-benzodioxol-5-ylmethylcarbamoyl)-5-chlorothiophen-2-yl]carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[5-chloro-3-(piperonylcarbamoyl)-2-thienyl]carbamoyl]cyclohexanecarboxylic acid Formula: C21H21ClN2O6S MolecularWeight: 464.91924

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C(=O)NC2=C(C=C(S2)Cl)C(=O)NCC3=CC4=C(C=C3)OCO4)C(=O)O

Isomeric SMILES

C1CC(CCC1C(=O)NC2=C(C=C(S2)Cl)C(=O)NCC3=CC4=C(C=C3)OCO4)C(=O)O

InChI

InChI=1S/C21H21ClN2O6S/c22-17-8-14(19(26)23-9-11-1-6-15-16(7-11)30-10-29-15)20(31-17)24-18(25)12-2-4-13(5-3-12)21(27)28/h1,6-8,12-13H,2-5,9-10H2,(H,23,26)(H,24,25)(H,27,28)