4-[[5-chloranyl-2-[phenylsulfonyl(prop-2-enyl)amino]phenoxy]methyl]benzoic acid

Systemtic Name: 4-[[5-chloranyl-2-[phenylsulfonyl(prop-2-enyl)amino]phenoxy]methyl]benzoic acid Openeye Name: 4-[[2-[allyl(benzenesulfonyl)amino]-5-chloro-phenoxy]methyl]benzoic acid CAS Name: 4-[[2-[benzenesulfonyl(prop-2-enyl)amino]-5-chlorophenoxy]methyl]benzoic acid IUPAC Name: 4-[[2-[benzenesulfonyl(prop-2-enyl)amino]-5-chlorophenoxy]methyl]benzoic acid Traditional Name: 4-[[2-[allyl(besyl)amino]-5-chloro-phenoxy]methyl]benzoic acid Formula: C23H20ClNO5S MolecularWeight: 457.9266

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(C1=C(C=C(C=C1)Cl)OCC2=CC=C(C=C2)C(=O)O)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C=CCN(C1=C(C=C(C=C1)Cl)OCC2=CC=C(C=C2)C(=O)O)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H20ClNO5S/c1-2-14-25(31(28,29)20-6-4-3-5-7-20)21-13-12-19(24)15-22(21)30-16-17-8-10-18(11-9-17)23(26)27/h2-13,15H,1,14,16H2,(H,26,27)