3,4-dimethoxy-N-[3-(3-oxidanylidenepiperazin-1-yl)sulfonylphenyl]benzenesulfonamide

Systemtic Name: 3,4-dimethoxy-N-[3-(3-oxidanylidenepiperazin-1-yl)sulfonylphenyl]benzenesulfonamide Openeye Name: 3,4-dimethoxy-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]benzenesulfonamide CAS Name: 3,4-dimethoxy-N-[3-[(3-oxo-1-piperazinyl)sulfonyl]phenyl]benzenesulfonamide IUPAC Name: 3,4-dimethoxy-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]benzenesulfonamide Traditional Name: N-[3-(3-ketopiperazino)sulfonylphenyl]-3,4-dimethoxy-benzenesulfonamide Formula: C18H21N3O7S2 MolecularWeight: 455.50524

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3)OC

InChI

InChI=1S/C18H21N3O7S2/c1-27-16-7-6-14(11-17(16)28-2)29(23,24)20-13-4-3-5-15(10-13)30(25,26)21-9-8-19-18(22)12-21/h3-7,10-11,20H,8-9,12H2,1-2H3,(H,19,22)