4-phenyl-3-(prop-2-enylamino)-5-sulfamoyl-benzoic acid

Systemtic Name: 4-phenyl-3-(prop-2-enylamino)-5-sulfamoyl-benzoic acid Openeye Name: 3-(allylamino)-4-phenyl-5-sulfamoyl-benzoic acid CAS Name: 4-phenyl-3-(prop-2-enylamino)-5-sulfamoylbenzoic acid IUPAC Name: 4-phenyl-3-(prop-2-enylamino)-5-sulfamoylbenzoic acid Traditional Name: 3-(allylamino)-4-phenyl-5-sulfamoyl-benzoic acid Formula: C16H16N2O4S MolecularWeight: 332.37424

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N)C2=CC=CC=C2

Isomeric SMILES

C=CCNC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N)C2=CC=CC=C2

InChI

InChI=1S/C16H16N2O4S/c1-2-8-18-13-9-12(16(19)20)10-14(23(17,21)22)15(13)11-6-4-3-5-7-11/h2-7,9-10,18H,1,8H2,(H,19,20)(H2,17,21,22)