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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(4-tert-butylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(4-tert-butylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(4-tert-butylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: 1-(4-tert-butylphenyl)sulfonyl-N-piperonyl-isonipecotamide Formula: C24H30N2O5S MolecularWeight: 458.5704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N2O5S/c1-24(2,3)19-5-7-20(8-6-19)32(28,29)26-12-10-18(11-13-26)23(27)25-15-17-4-9-21-22(14-17)31-16-30-21/h4-9,14,18H,10-13,15-16H2,1-3H3,(H,25,27)