5-azanyl-2-[(4-propoxyphenyl)amino]benzenesulfonic acid

Systemtic Name: 5-azanyl-2-[(4-propoxyphenyl)amino]benzenesulfonic acid Openeye Name: 5-amino-2-(4-propoxyanilino)benzenesulfonic acid CAS Name: 5-amino-2-(4-propoxyanilino)benzenesulfonic acid IUPAC Name: 5-amino-2-(4-propoxyanilino)benzenesulfonic acid Traditional Name: 5-amino-2-(4-propoxyanilino)besylic acid Formula: C15H18N2O4S MolecularWeight: 322.37942

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)NC2=C(C=C(C=C2)N)S(=O)(=O)O

Isomeric SMILES

CCCOC1=CC=C(C=C1)NC2=C(C=C(C=C2)N)S(=O)(=O)O

InChI

InChI=1S/C15H18N2O4S/c1-2-9-21-13-6-4-12(5-7-13)17-14-8-3-11(16)10-15(14)22(18,19)20/h3-8,10,17H,2,9,16H2,1H3,(H,18,19,20)