[3-[(phenylmethyl)carbamoyl]phenyl] 8-methylquinoline-5-sulfonate

Systemtic Name: [3-[(phenylmethyl)carbamoyl]phenyl] 8-methylquinoline-5-sulfonate Openeye Name: [3-(benzylcarbamoyl)phenyl] 8-methylquinoline-5-sulfonate CAS Name: 8-methyl-5-quinolinesulfonic acid [3-[oxo-[(phenylmethyl)amino]methyl]phenyl] ester IUPAC Name: [3-(benzylcarbamoyl)phenyl] 8-methylquinoline-5-sulfonate Traditional Name: 8-methylquinoline-5-sulfonic acid [3-(benzylcarbamoyl)phenyl] ester Formula: C24H20N2O4S MolecularWeight: 432.4916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)S(=O)(=O)OC3=CC=CC(=C3)C(=O)NCC4=CC=CC=C4)C=CC=N2

Isomeric SMILES

CC1=C2C(=C(C=C1)S(=O)(=O)OC3=CC=CC(=C3)C(=O)NCC4=CC=CC=C4)C=CC=N2

InChI

InChI=1S/C24H20N2O4S/c1-17-12-13-22(21-11-6-14-25-23(17)21)31(28,29)30-20-10-5-9-19(15-20)24(27)26-16-18-7-3-2-4-8-18/h2-15H,16H2,1H3,(H,26,27)