N3-[3-methyl-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]benzene-1,3-disulfonamide

Systemtic Name: N3-[3-methyl-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]benzene-1,3-disulfonamide Openeye Name: N3-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzene-1,3-disulfonamide CAS Name: N3-[3-methyl-4-(2-oxo-1-pyrrolidinyl)phenyl]benzene-1,3-disulfonamide IUPAC Name: 3-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzene-1,3-disulfonamide Traditional Name: N'-[4-(2-ketopyrrolidino)-3-methyl-phenyl]benzene-1,3-disulfonamide Formula: C17H19N3O5S2 MolecularWeight: 409.47986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NS(=O)(=O)C2=CC=CC(=C2)S(=O)(=O)N)N3CCCC3=O

Isomeric SMILES

CC1=C(C=CC(=C1)NS(=O)(=O)C2=CC=CC(=C2)S(=O)(=O)N)N3CCCC3=O

InChI

InChI=1S/C17H19N3O5S2/c1-12-10-13(7-8-16(12)20-9-3-6-17(20)21)19-27(24,25)15-5-2-4-14(11-15)26(18,22)23/h2,4-5,7-8,10-11,19H,3,6,9H2,1H3,(H2,18,22,23)