4-methyl-3-[(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfamoyl]benzoic acid

Systemtic Name: 4-methyl-3-[(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfamoyl]benzoic acid Openeye Name: 4-methyl-3-[(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfamoyl]benzoic acid CAS Name: 4-methyl-3-[[3-(1-pyrrolidinyl)-2-quinoxalinyl]sulfamoyl]benzoic acid IUPAC Name: 4-methyl-3-[(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfamoyl]benzoic acid Traditional Name: 4-methyl-3-[(3-pyrrolidinoquinoxalin-2-yl)sulfamoyl]benzoic acid Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2N4CCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2N4CCCC4

InChI

InChI=1S/C20H20N4O4S/c1-13-8-9-14(20(25)26)12-17(13)29(27,28)23-18-19(24-10-4-5-11-24)22-16-7-3-2-6-15(16)21-18/h2-3,6-9,12H,4-5,10-11H2,1H3,(H,21,23)(H,25,26)