2-[[4-[4-(1,3-benzodioxol-5-yl)-3-methyl-phenyl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]ethanoate

Systemtic Name: 2-[[4-[4-(1,3-benzodioxol-5-yl)-3-methyl-phenyl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]ethanoate Openeye Name: 2-[[4-[4-(1,3-benzodioxol-5-yl)-3-methyl-phenyl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]acetate CAS Name: 2-[[4-[4-(1,3-benzodioxol-5-yl)-3-methylphenyl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]acetate IUPAC Name: 2-[[4-[4-(1,3-benzodioxol-5-yl)-3-methylphenyl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]acetate Traditional Name: 2-[[4-[4-(1,3-benzodioxol-5-yl)-3-methyl-phenyl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]acetate Formula: C21H20NO6S- MolecularWeight: 414.4516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=CCN(CC2)S(=O)(=O)CC(=O)[O-])C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(C=CC(=C1)C2=CCN(CC2)S(=O)(=O)CC(=O)[O-])C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H21NO6S/c1-14-10-16(15-6-8-22(9-7-15)29(25,26)12-21(23)24)2-4-18(14)17-3-5-19-20(11-17)28-13-27-19/h2-6,10-11H,7-9,12-13H2,1H3,(H,23,24)/p-1