N-(1,3-benzodioxol-5-ylmethyl)-1-(4-ethoxyphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(4-ethoxyphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(4-ethoxyphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(4-ethoxyphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-piperonyl-1-p-phenetylsulfonyl-isonipecotamide Formula: C22H26N2O6S MolecularWeight: 446.51664

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H26N2O6S/c1-2-28-18-4-6-19(7-5-18)31(26,27)24-11-9-17(10-12-24)22(25)23-14-16-3-8-20-21(13-16)30-15-29-20/h3-8,13,17H,2,9-12,14-15H2,1H3,(H,23,25)