N-(6-cyano-1,3-benzodioxol-5-yl)-4-methoxy-3-(4-phenylpiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-(6-cyano-1,3-benzodioxol-5-yl)-4-methoxy-3-(4-phenylpiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-(6-cyano-1,3-benzodioxol-5-yl)-4-methoxy-3-(4-phenylpiperazin-1-yl)sulfonyl-benzamide CAS Name: N-(6-cyano-1,3-benzodioxol-5-yl)-4-methoxy-3-[(4-phenyl-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-(6-cyano-1,3-benzodioxol-5-yl)-4-methoxy-3-(4-phenylpiperazin-1-yl)sulfonylbenzamide Traditional Name: N-(6-cyano-1,3-benzodioxol-5-yl)-4-methoxy-3-(4-phenylpiperazino)sulfonyl-benzamide Formula: C26H24N4O6S MolecularWeight: 520.55696

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2C#N)OCO3)S(=O)(=O)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2C#N)OCO3)S(=O)(=O)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C26H24N4O6S/c1-34-22-8-7-18(26(31)28-21-15-24-23(35-17-36-24)13-19(21)16-27)14-25(22)37(32,33)30-11-9-29(10-12-30)20-5-3-2-4-6-20/h2-8,13-15H,9-12,17H2,1H3,(H,28,31)