(2-chloranyl-4-cyano-phenyl) 3-methylquinoline-8-sulfonate

Systemtic Name: (2-chloranyl-4-cyano-phenyl) 3-methylquinoline-8-sulfonate Openeye Name: (2-chloro-4-cyano-phenyl) 3-methylquinoline-8-sulfonate CAS Name: 3-methyl-8-quinolinesulfonic acid (2-chloro-4-cyanophenyl) ester IUPAC Name: (2-chloro-4-cyanophenyl) 3-methylquinoline-8-sulfonate Traditional Name: 3-methylquinoline-8-sulfonic acid (2-chloro-4-cyano-phenyl) ester Formula: C17H11ClN2O3S MolecularWeight: 358.79884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C2C(=C1)C=CC=C2S(=O)(=O)OC3=C(C=C(C=C3)C#N)Cl

Isomeric SMILES

CC1=CN=C2C(=C1)C=CC=C2S(=O)(=O)OC3=C(C=C(C=C3)C#N)Cl

InChI

InChI=1S/C17H11ClN2O3S/c1-11-7-13-3-2-4-16(17(13)20-10-11)24(21,22)23-15-6-5-12(9-19)8-14(15)18/h2-8,10H,1H3