N4,N4-diethyl-N1-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzene-1,4-disulfonamide

Systemtic Name: N4,N4-diethyl-N1-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzene-1,4-disulfonamide Openeye Name: N4,N4-diethyl-N1-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzene-1,4-disulfonamide CAS Name: N4,N4-diethyl-N1-[3-(1-pyrrolidinyl)-2-quinoxalinyl]benzene-1,4-disulfonamide IUPAC Name: 4-N,4-N-diethyl-1-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzene-1,4-disulfonamide Traditional Name: N',N'-diethyl-N-(3-pyrrolidinoquinoxalin-2-yl)benzene-1,4-disulfonamide Formula: C22H27N5O4S2 MolecularWeight: 489.61088

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2N4CCCC4

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2N4CCCC4

InChI

InChI=1S/C22H27N5O4S2/c1-3-27(4-2)33(30,31)18-13-11-17(12-14-18)32(28,29)25-21-22(26-15-7-8-16-26)24-20-10-6-5-9-19(20)23-21/h5-6,9-14H,3-4,7-8,15-16H2,1-2H3,(H,23,25)