4-chloranyl-2-[[(E)-3-(4-phenylphenyl)prop-2-enoyl]amino]benzenesulfonic acid

Systemtic Name: 4-chloranyl-2-[[(E)-3-(4-phenylphenyl)prop-2-enoyl]amino]benzenesulfonic acid Openeye Name: 4-chloro-2-[[(E)-3-(4-phenylphenyl)prop-2-enoyl]amino]benzenesulfonic acid CAS Name: 4-chloro-2-[[(E)-1-oxo-3-(4-phenylphenyl)prop-2-enyl]amino]benzenesulfonic acid IUPAC Name: 4-chloro-2-[[(E)-3-(4-phenylphenyl)prop-2-enoyl]amino]benzenesulfonic acid Traditional Name: 4-chloro-2-[[(E)-3-(4-phenylphenyl)acryloyl]amino]besylic acid Formula: C21H16ClNO4S MolecularWeight: 413.87404

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C=CC(=O)NC3=C(C=CC(=C3)Cl)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)/C=C/C(=O)NC3=C(C=CC(=C3)Cl)S(=O)(=O)O

InChI

InChI=1S/C21H16ClNO4S/c22-18-11-12-20(28(25,26)27)19(14-18)23-21(24)13-8-15-6-9-17(10-7-15)16-4-2-1-3-5-16/h1-14H,(H,23,24)(H,25,26,27)/b13-8+