N-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-yl-ethyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-yl-ethyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[(2S)-2-(p-tolylsulfonyl)-2-(3-pyridyl)ethyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[(2S)-2-(4-methylphenyl)sulfonyl-2-(3-pyridinyl)ethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[(2S)-2-(3-pyridyl)-2-tosyl-ethyl]-piperonylamide Formula: C22H20N2O5S MolecularWeight: 424.4696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CNC(=O)C2=CC3=C(C=C2)OCO3)C4=CN=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[C@H](CNC(=O)C2=CC3=C(C=C2)OCO3)C4=CN=CC=C4

InChI

InChI=1S/C22H20N2O5S/c1-15-4-7-18(8-5-15)30(26,27)21(17-3-2-10-23-12-17)13-24-22(25)16-6-9-19-20(11-16)29-14-28-19/h2-12,21H,13-14H2,1H3,(H,24,25)/t21-/m1/s1