N3-cyclopropyl-N1-(2-methyl-6-pyrrolidin-1-ylcarbonyl-phenyl)benzene-1,3-disulfonamide

Systemtic Name: N3-cyclopropyl-N1-(2-methyl-6-pyrrolidin-1-ylcarbonyl-phenyl)benzene-1,3-disulfonamide Openeye Name: N3-cyclopropyl-N1-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzene-1,3-disulfonamide CAS Name: N3-cyclopropyl-N1-[2-methyl-6-[oxo(1-pyrrolidinyl)methyl]phenyl]benzene-1,3-disulfonamide IUPAC Name: 3-N-cyclopropyl-1-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzene-1,3-disulfonamide Traditional Name: N'-cyclopropyl-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzene-1,3-disulfonamide Formula: C21H25N3O5S2 MolecularWeight: 463.5703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1NS(=O)(=O)C2=CC(=CC=C2)S(=O)(=O)NC3CC3)C(=O)N4CCCC4

Isomeric SMILES

CC1=CC=CC(=C1NS(=O)(=O)C2=CC(=CC=C2)S(=O)(=O)NC3CC3)C(=O)N4CCCC4

InChI

InChI=1S/C21H25N3O5S2/c1-15-6-4-9-19(21(25)24-12-2-3-13-24)20(15)23-31(28,29)18-8-5-7-17(14-18)30(26,27)22-16-10-11-16/h4-9,14,16,22-23H,2-3,10-13H2,1H3