4-(4-azanyl-3-methyl-phenoxy)-3-[(phenylmethyl)amino]-5-sulfamoyl-benzoic acid

Systemtic Name: 4-(4-azanyl-3-methyl-phenoxy)-3-[(phenylmethyl)amino]-5-sulfamoyl-benzoic acid Openeye Name: 4-(4-amino-3-methyl-phenoxy)-3-(benzylamino)-5-sulfamoyl-benzoic acid CAS Name: 4-(4-amino-3-methylphenoxy)-3-[(phenylmethyl)amino]-5-sulfamoylbenzoic acid IUPAC Name: 4-(4-amino-3-methylphenoxy)-3-(benzylamino)-5-sulfamoylbenzoic acid Traditional Name: 4-(4-amino-3-methyl-phenoxy)-3-(benzylamino)-5-sulfamoyl-benzoic acid Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)NCC3=CC=CC=C3)N

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)NCC3=CC=CC=C3)N

InChI

InChI=1S/C21H21N3O5S/c1-13-9-16(7-8-17(13)22)29-20-18(24-12-14-5-3-2-4-6-14)10-15(21(25)26)11-19(20)30(23,27)28/h2-11,24H,12,22H2,1H3,(H,25,26)(H2,23,27,28)