(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 3-(4-ethanoylpiperazin-1-yl)sulfonylbenzoate

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 3-(4-ethanoylpiperazin-1-yl)sulfonylbenzoate Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[(4-acetyl-1-piperazinyl)sulfonyl]benzoic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(4-acetylpiperazino)sulfonylbenzoic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C22H23ClN2O7S MolecularWeight: 494.94522

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=C4C(=CC(=C3)Cl)COCO4

Isomeric SMILES

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=C4C(=CC(=C3)Cl)COCO4

InChI

InChI=1S/C22H23ClN2O7S/c1-15(26)24-5-7-25(8-6-24)33(28,29)20-4-2-3-16(11-20)22(27)31-13-18-10-19(23)9-17-12-30-14-32-21(17)18/h2-4,9-11H,5-8,12-14H2,1H3