N3-(2-methyl-6-pyrrolidin-1-ylcarbonyl-phenyl)benzene-1,3-disulfonamide

Systemtic Name: N3-(2-methyl-6-pyrrolidin-1-ylcarbonyl-phenyl)benzene-1,3-disulfonamide Openeye Name: N3-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzene-1,3-disulfonamide CAS Name: N3-[2-methyl-6-[oxo(1-pyrrolidinyl)methyl]phenyl]benzene-1,3-disulfonamide IUPAC Name: 3-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzene-1,3-disulfonamide Traditional Name: N'-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzene-1,3-disulfonamide Formula: C18H21N3O5S2 MolecularWeight: 423.50644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1NS(=O)(=O)C2=CC=CC(=C2)S(=O)(=O)N)C(=O)N3CCCC3

Isomeric SMILES

CC1=CC=CC(=C1NS(=O)(=O)C2=CC=CC(=C2)S(=O)(=O)N)C(=O)N3CCCC3

InChI

InChI=1S/C18H21N3O5S2/c1-13-6-4-9-16(18(22)21-10-2-3-11-21)17(13)20-28(25,26)15-8-5-7-14(12-15)27(19,23)24/h4-9,12,20H,2-3,10-11H2,1H3,(H2,19,23,24)