2-(1,3-benzodioxol-5-ylmethylamino)-N-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)ethanamide

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylamino)-N-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)ethanamide Openeye Name: 2-(1,3-benzodioxol-5-ylmethylamino)-N-[2-chloro-5-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: 2-(1,3-benzodioxol-5-ylmethylamino)-N-[2-chloro-5-(1-piperidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylamino)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)acetamide Traditional Name: N-(2-chloro-5-piperidinosulfonyl-phenyl)-2-(piperonylamino)acetamide Formula: C21H24ClN3O5S MolecularWeight: 465.95036

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CNCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CNCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H24ClN3O5S/c22-17-6-5-16(31(27,28)25-8-2-1-3-9-25)11-18(17)24-21(26)13-23-12-15-4-7-19-20(10-15)30-14-29-19/h4-7,10-11,23H,1-3,8-9,12-14H2,(H,24,26)