4-methyl-2-(phenethylamino)-5-sulfamoyl-benzoic acid

Systemtic Name: 4-methyl-2-(phenethylamino)-5-sulfamoyl-benzoic acid Openeye Name: 4-methyl-2-(phenethylamino)-5-sulfamoyl-benzoic acid CAS Name: 4-methyl-2-(phenethylamino)-5-sulfamoylbenzoic acid IUPAC Name: 4-methyl-2-(phenethylamino)-5-sulfamoylbenzoic acid Traditional Name: 4-methyl-2-(phenethylamino)-5-sulfamoyl-benzoic acid Formula: C16H18N2O4S MolecularWeight: 334.39012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)NCCC2=CC=CC=C2)C(=O)O)S(=O)(=O)N

Isomeric SMILES

CC1=C(C=C(C(=C1)NCCC2=CC=CC=C2)C(=O)O)S(=O)(=O)N

InChI

InChI=1S/C16H18N2O4S/c1-11-9-14(18-8-7-12-5-3-2-4-6-12)13(16(19)20)10-15(11)23(17,21)22/h2-6,9-10,18H,7-8H2,1H3,(H,19,20)(H2,17,21,22)