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

Systemtic Name: N-(6-chloranyl-1,3-benzodioxol-5-yl)-3-(4-phenylpiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-(6-chloro-1,3-benzodioxol-5-yl)-3-(4-phenylpiperazin-1-yl)sulfonyl-benzamide CAS Name: N-(6-chloro-1,3-benzodioxol-5-yl)-3-[(4-phenyl-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-(6-chloro-1,3-benzodioxol-5-yl)-3-(4-phenylpiperazin-1-yl)sulfonylbenzamide Traditional Name: N-(6-chloro-1,3-benzodioxol-5-yl)-3-(4-phenylpiperazino)sulfonyl-benzamide Formula: C24H22ClN3O5S MolecularWeight: 499.96658

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(=O)NC4=CC5=C(C=C4Cl)OCO5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(=O)NC4=CC5=C(C=C4Cl)OCO5

InChI

InChI=1S/C24H22ClN3O5S/c25-20-14-22-23(33-16-32-22)15-21(20)26-24(29)17-5-4-8-19(13-17)34(30,31)28-11-9-27(10-12-28)18-6-2-1-3-7-18/h1-8,13-15H,9-12,16H2,(H,26,29)