1,3-benzodioxol-5-yl 3-(3-oxidanylidenepiperazin-1-yl)sulfonylbenzoate

Systemtic Name: 1,3-benzodioxol-5-yl 3-(3-oxidanylidenepiperazin-1-yl)sulfonylbenzoate Openeye Name: 1,3-benzodioxol-5-yl 3-(3-oxopiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[(3-oxo-1-piperazinyl)sulfonyl]benzoic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 3-(3-oxopiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(3-ketopiperazino)sulfonylbenzoic acid 1,3-benzodioxol-5-yl ester Formula: C18H16N2O7S MolecularWeight: 404.39384

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CC(=O)N1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H16N2O7S/c21-17-10-20(7-6-19-17)28(23,24)14-3-1-2-12(8-14)18(22)27-13-4-5-15-16(9-13)26-11-25-15/h1-5,8-9H,6-7,10-11H2,(H,19,21)