3-(2,5-dimethylpyrrolidin-1-yl)-4-phenylazanyl-5-sulfamoyl-benzoic acid

Systemtic Name: 3-(2,5-dimethylpyrrolidin-1-yl)-4-phenylazanyl-5-sulfamoyl-benzoic acid Openeye Name: 4-anilino-3-(2,5-dimethylpyrrolidin-1-yl)-5-sulfamoyl-benzoic acid CAS Name: 4-anilino-3-(2,5-dimethyl-1-pyrrolidinyl)-5-sulfamoylbenzoic acid IUPAC Name: 4-anilino-3-(2,5-dimethylpyrrolidin-1-yl)-5-sulfamoylbenzoic acid Traditional Name: 4-anilino-3-(2,5-dimethylpyrrolidino)-5-sulfamoyl-benzoic acid Formula: C19H23N3O4S MolecularWeight: 389.46862

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(N1C2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)NC3=CC=CC=C3)C

Isomeric SMILES

CC1CCC(N1C2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)NC3=CC=CC=C3)C

InChI

InChI=1S/C19H23N3O4S/c1-12-8-9-13(2)22(12)16-10-14(19(23)24)11-17(27(20,25)26)18(16)21-15-6-4-3-5-7-15/h3-7,10-13,21H,8-9H2,1-2H3,(H,23,24)(H2,20,25,26)