4-[(4-aminophenyl)methyl]-3-(3-methylpyrrolidin-1-yl)-5-sulfamoyl-benzoic acid

Systemtic Name: 4-[(4-aminophenyl)methyl]-3-(3-methylpyrrolidin-1-yl)-5-sulfamoyl-benzoic acid Openeye Name: 4-[(4-aminophenyl)methyl]-3-(3-methylpyrrolidin-1-yl)-5-sulfamoyl-benzoic acid CAS Name: 4-[(4-aminophenyl)methyl]-3-(3-methyl-1-pyrrolidinyl)-5-sulfamoylbenzoic acid IUPAC Name: 4-[(4-aminophenyl)methyl]-3-(3-methylpyrrolidin-1-yl)-5-sulfamoylbenzoic acid Traditional Name: 4-(4-aminobenzyl)-3-(3-methylpyrrolidino)-5-sulfamoyl-benzoic acid Formula: C19H23N3O4S MolecularWeight: 389.46862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C1)C2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)CC3=CC=C(C=C3)N

Isomeric SMILES

CC1CCN(C1)C2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)CC3=CC=C(C=C3)N

InChI

InChI=1S/C19H23N3O4S/c1-12-6-7-22(11-12)17-9-14(19(23)24)10-18(27(21,25)26)16(17)8-13-2-4-15(20)5-3-13/h2-5,9-10,12H,6-8,11,20H2,1H3,(H,23,24)(H2,21,25,26)