3-(cyclopropylmethylamino)-4-(4-methylphenoxy)-5-sulfamoyl-benzoic acid

Systemtic Name: 3-(cyclopropylmethylamino)-4-(4-methylphenoxy)-5-sulfamoyl-benzoic acid Openeye Name: 3-(cyclopropylmethylamino)-4-(4-methylphenoxy)-5-sulfamoyl-benzoic acid CAS Name: 3-(cyclopropylmethylamino)-4-(4-methylphenoxy)-5-sulfamoylbenzoic acid IUPAC Name: 3-(cyclopropylmethylamino)-4-(4-methylphenoxy)-5-sulfamoylbenzoic acid Traditional Name: 3-(cyclopropylmethylamino)-4-(4-methylphenoxy)-5-sulfamoyl-benzoic acid Formula: C18H20N2O5S MolecularWeight: 376.4268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)NCC3CC3

Isomeric SMILES

CC1=CC=C(C=C1)OC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)NCC3CC3

InChI

InChI=1S/C18H20N2O5S/c1-11-2-6-14(7-3-11)25-17-15(20-10-12-4-5-12)8-13(18(21)22)9-16(17)26(19,23)24/h2-3,6-9,12,20H,4-5,10H2,1H3,(H,21,22)(H2,19,23,24)