N-(1,3-benzodioxol-5-ylmethyl)-1-quinolin-8-ylsulfonyl-piperidine-3-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-1-quinolin-8-ylsulfonyl-piperidine-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(8-quinolylsulfonyl)piperidine-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(8-quinolinylsulfonyl)-3-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide Traditional Name: N-piperonyl-1-(8-quinolylsulfonyl)nipecotamide Formula: C23H23N3O5S MolecularWeight: 453.51082

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CC3=C2N=CC=C3)C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=CC3=C2N=CC=C3)C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H23N3O5S/c27-23(25-13-16-8-9-19-20(12-16)31-15-30-19)18-6-3-11-26(14-18)32(28,29)21-7-1-4-17-5-2-10-24-22(17)21/h1-2,4-5,7-10,12,18H,3,6,11,13-15H2,(H,25,27)