5-azanyl-2-[(E)-2-(4-benzamidophenyl)ethenyl]benzenesulfonic acid

Systemtic Name: 5-azanyl-2-[(E)-2-(4-benzamidophenyl)ethenyl]benzenesulfonic acid Openeye Name: 5-amino-2-[(E)-2-(4-benzamidophenyl)vinyl]benzenesulfonic acid CAS Name: 5-amino-2-[(E)-2-(4-benzamidophenyl)ethenyl]benzenesulfonic acid IUPAC Name: 5-amino-2-[(E)-2-(4-benzamidophenyl)ethenyl]benzenesulfonic acid Traditional Name: 5-amino-2-[(E)-2-(4-benzamidophenyl)vinyl]besylic acid Formula: C21H18N2O4S MolecularWeight: 394.44362

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C=CC3=C(C=C(C=C3)N)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)/C=C/C3=C(C=C(C=C3)N)S(=O)(=O)O

InChI

InChI=1S/C21H18N2O4S/c22-18-11-10-16(20(14-18)28(25,26)27)9-6-15-7-12-19(13-8-15)23-21(24)17-4-2-1-3-5-17/h1-14H,22H2,(H,23,24)(H,25,26,27)/b9-6+