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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(3,4-dimethylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(3,4-dimethylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(3,4-dimethylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: 1-(3,4-dimethylphenyl)sulfonyl-N-piperonyl-isonipecotamide Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C22H26N2O5S/c1-15-3-5-19(11-16(15)2)30(26,27)24-9-7-18(8-10-24)22(25)23-13-17-4-6-20-21(12-17)29-14-28-20/h3-6,11-12,18H,7-10,13-14H2,1-2H3,(H,23,25)