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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(4-methylphenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(p-tolylsulfonyl)piperidine-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(4-methylphenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide Traditional Name: N-piperonyl-1-tosyl-nipecotamide Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H24N2O5S/c1-15-4-7-18(8-5-15)29(25,26)23-10-2-3-17(13-23)21(24)22-12-16-6-9-19-20(11-16)28-14-27-19/h4-9,11,17H,2-3,10,12-14H2,1H3,(H,22,24)