3-(1,3-benzodioxol-5-ylmethylamino)-N-(pyridin-2-ylmethyl)-5-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethylamino)-N-(pyridin-2-ylmethyl)-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 3-(1,3-benzodioxol-5-ylmethylamino)-N-(2-pyridylmethyl)-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 3-(1,3-benzodioxol-5-ylmethylamino)-N-(2-pyridinylmethyl)-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 3-(1,3-benzodioxol-5-ylmethylamino)-N-(pyridin-2-ylmethyl)-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 3-(piperonylamino)-N-(2-pyridylmethyl)-5-pyrrolidinosulfonyl-benzamide Formula: C25H26N4O5S MolecularWeight: 494.56274

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=CC(=C2)NCC3=CC4=C(C=C3)OCO4)C(=O)NCC5=CC=CC=N5

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=CC(=C2)NCC3=CC4=C(C=C3)OCO4)C(=O)NCC5=CC=CC=N5

InChI

InChI=1S/C25H26N4O5S/c30-25(28-16-20-5-1-2-8-26-20)19-12-21(14-22(13-19)35(31,32)29-9-3-4-10-29)27-15-18-6-7-23-24(11-18)34-17-33-23/h1-2,5-8,11-14,27H,3-4,9-10,15-17H2,(H,28,30)