N4,N4-diethyl-N1-(2-methyl-6-pyrrolidin-1-ylcarbonyl-phenyl)benzene-1,4-disulfonamide

Systemtic Name: N4,N4-diethyl-N1-(2-methyl-6-pyrrolidin-1-ylcarbonyl-phenyl)benzene-1,4-disulfonamide Openeye Name: N4,N4-diethyl-N1-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzene-1,4-disulfonamide CAS Name: N4,N4-diethyl-N1-[2-methyl-6-[oxo(1-pyrrolidinyl)methyl]phenyl]benzene-1,4-disulfonamide IUPAC Name: 4-N,4-N-diethyl-1-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzene-1,4-disulfonamide Traditional Name: N',N'-diethyl-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzene-1,4-disulfonamide Formula: C22H29N3O5S2 MolecularWeight: 479.61276

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC=C2C)C(=O)N3CCCC3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC=C2C)C(=O)N3CCCC3

InChI

InChI=1S/C22H29N3O5S2/c1-4-25(5-2)32(29,30)19-13-11-18(12-14-19)31(27,28)23-21-17(3)9-8-10-20(21)22(26)24-15-6-7-16-24/h8-14,23H,4-7,15-16H2,1-3H3