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

Systemtic Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one Openeye Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one CAS Name: 6-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]sulfonyl]-3,4-dihydro-1H-quinolin-2-one IUPAC Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one Traditional Name: 6-(4-piperonylpiperazino)sulfonyl-3,4-dihydrocarbostyril Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)NC2=C1C=C(C=C2)S(=O)(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CC(=O)NC2=C1C=C(C=C2)S(=O)(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H23N3O5S/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/h1,3-5,11-12H,2,6-10,13-14H2,(H,22,25)