N-(1,3-benzodioxol-5-ylmethyl)-4-[[(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[[(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(p-tolylsulfonylamino)methyl]cyclohexanecarboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[[(4-methylphenyl)sulfonylamino]methyl]-1-cyclohexanecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[[(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide Traditional Name: N-piperonyl-4-[(tosylamino)methyl]cyclohexanecarboxamide Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCC2CCC(CC2)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCC2CCC(CC2)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H28N2O5S/c1-16-2-9-20(10-3-16)31(27,28)25-14-17-4-7-19(8-5-17)23(26)24-13-18-6-11-21-22(12-18)30-15-29-21/h2-3,6,9-12,17,19,25H,4-5,7-8,13-15H2,1H3,(H,24,26)