4-[(4-aminophenyl)amino]-3-[[(E)-but-2-enyl]amino]-5-sulfamoyl-benzoic acid

Systemtic Name: 4-[(4-aminophenyl)amino]-3-[[(E)-but-2-enyl]amino]-5-sulfamoyl-benzoic acid Openeye Name: 4-(4-aminoanilino)-3-[[(E)-but-2-enyl]amino]-5-sulfamoyl-benzoic acid CAS Name: 4-(4-aminoanilino)-3-[[(E)-but-2-enyl]amino]-5-sulfamoylbenzoic acid IUPAC Name: 4-(4-aminoanilino)-3-[[(E)-but-2-enyl]amino]-5-sulfamoylbenzoic acid Traditional Name: 4-(4-aminoanilino)-3-[[(E)-but-2-enyl]amino]-5-sulfamoyl-benzoic acid Formula: C17H20N4O4S MolecularWeight: 376.4301

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Descriptors Computed from Structure

Canonical SMILES:

CC=CCNC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N)NC2=CC=C(C=C2)N

Isomeric SMILES

C/C=C/CNC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N)NC2=CC=C(C=C2)N

InChI

InChI=1S/C17H20N4O4S/c1-2-3-8-20-14-9-11(17(22)23)10-15(26(19,24)25)16(14)21-13-6-4-12(18)5-7-13/h2-7,9-10,20-21H,8,18H2,1H3,(H,22,23)(H2,19,24,25)/b3-2+