6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonyl-1H-quinolin-2-one

Systemtic Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonyl-1H-quinolin-2-one Openeye Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonyl-1H-quinolin-2-one CAS Name: 6-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]sulfonyl]-1H-quinolin-2-one IUPAC Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonyl-1H-quinolin-2-one Traditional Name: 6-(4-piperonylpiperazino)sulfonylcarbostyril Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC5=C(C=C4)NC(=O)C=C5

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC5=C(C=C4)NC(=O)C=C5

InChI

InChI=1S/C21H21N3O5S/c25-21-6-2-16-12-17(3-4-18(16)22-21)30(26,27)24-9-7-23(8-10-24)13-15-1-5-19-20(11-15)29-14-28-19/h1-6,11-12H,7-10,13-14H2,(H,22,25)