N-(1,3-benzodioxol-5-ylmethyl)-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(1-piperidylsulfonyl)-1H-pyrrole-2-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(1-piperidinylsulfonyl)-1H-pyrrole-2-carboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide Traditional Name: 4-piperidinosulfonyl-N-piperonyl-1H-pyrrole-2-carboxamide Formula: C18H21N3O5S MolecularWeight: 391.44144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CNC(=C2)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CNC(=C2)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H21N3O5S/c22-18(20-10-13-4-5-16-17(8-13)26-12-25-16)15-9-14(11-19-15)27(23,24)21-6-2-1-3-7-21/h4-5,8-9,11,19H,1-3,6-7,10,12H2,(H,20,22)