N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-benzodioxole-5-carboxamide Openeye Name: N-[1-(2-thienylsulfonyl)-3,4-dihydro-2H-quinolin-6-yl]-1,3-benzodioxole-5-carboxamide CAS Name: N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-benzodioxole-5-carboxamide IUPAC Name: N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-benzodioxole-5-carboxamide Traditional Name: N-[1-(2-thienylsulfonyl)-3,4-dihydro-2H-quinolin-6-yl]-piperonylamide Formula: C21H18N2O5S2 MolecularWeight: 442.50802

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)NC(=O)C3=CC4=C(C=C3)OCO4)N(C1)S(=O)(=O)C5=CC=CS5

Isomeric SMILES

C1CC2=C(C=CC(=C2)NC(=O)C3=CC4=C(C=C3)OCO4)N(C1)S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C21H18N2O5S2/c24-21(15-5-8-18-19(12-15)28-13-27-18)22-16-6-7-17-14(11-16)3-1-9-23(17)30(25,26)20-4-2-10-29-20/h2,4-8,10-12H,1,3,9,13H2,(H,22,24)