N1-methyl-N4-[3-(3-oxidanylidenepiperazin-1-yl)sulfonylphenyl]benzene-1,4-disulfonamide

Systemtic Name: N1-methyl-N4-[3-(3-oxidanylidenepiperazin-1-yl)sulfonylphenyl]benzene-1,4-disulfonamide Openeye Name: N1-methyl-N4-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]benzene-1,4-disulfonamide CAS Name: N1-methyl-N4-[3-[(3-oxo-1-piperazinyl)sulfonyl]phenyl]benzene-1,4-disulfonamide IUPAC Name: 1-N-methyl-4-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]benzene-1,4-disulfonamide Traditional Name: N'-[3-(3-ketopiperazino)sulfonylphenyl]-N-methyl-benzene-1,4-disulfonamide Formula: C17H20N4O7S3 MolecularWeight: 488.5583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O7S3/c1-18-29(23,24)14-5-7-15(8-6-14)30(25,26)20-13-3-2-4-16(11-13)31(27,28)21-10-9-19-17(22)12-21/h2-8,11,18,20H,9-10,12H2,1H3,(H,19,22)