N-(6-ethanoyl-1,3-benzodioxol-5-yl)-3-(4-methylpiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-(6-ethanoyl-1,3-benzodioxol-5-yl)-3-(4-methylpiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-3-(4-methylpiperazin-1-yl)sulfonyl-benzamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-3-[(4-methyl-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-3-(4-methylpiperazin-1-yl)sulfonylbenzamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-3-(4-methylpiperazino)sulfonyl-benzamide Formula: C21H23N3O6S MolecularWeight: 445.48882

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCN(CC4)C)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCN(CC4)C)OCO2

InChI

InChI=1S/C21H23N3O6S/c1-14(25)17-11-19-20(30-13-29-19)12-18(17)22-21(26)15-4-3-5-16(10-15)31(27,28)24-8-6-23(2)7-9-24/h3-5,10-12H,6-9,13H2,1-2H3,(H,22,26)