7-chloranyl-N-(4-ethoxy-3-piperidin-1-ylsulfonyl-phenyl)-1,3-benzodioxole-5-carboxamide

Systemtic Name: 7-chloranyl-N-(4-ethoxy-3-piperidin-1-ylsulfonyl-phenyl)-1,3-benzodioxole-5-carboxamide Openeye Name: 7-chloro-N-[4-ethoxy-3-(1-piperidylsulfonyl)phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: 7-chloro-N-[4-ethoxy-3-(1-piperidinylsulfonyl)phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: 7-chloro-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-1,3-benzodioxole-5-carboxamide Traditional Name: 7-chloro-N-(4-ethoxy-3-piperidinosulfonyl-phenyl)-piperonylamide Formula: C21H23ClN2O6S MolecularWeight: 466.93512

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C(=C2)Cl)OCO3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C(=C2)Cl)OCO3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C21H23ClN2O6S/c1-2-28-17-7-6-15(12-19(17)31(26,27)24-8-4-3-5-9-24)23-21(25)14-10-16(22)20-18(11-14)29-13-30-20/h6-7,10-12H,2-5,8-9,13H2,1H3,(H,23,25)