2-[4,5-dimethyl-3-phenyl-2-[(phenylmethyl)carbamoyl]phenyl]ethyl methanesulfonate

Systemtic Name: 2-[4,5-dimethyl-3-phenyl-2-[(phenylmethyl)carbamoyl]phenyl]ethyl methanesulfonate Openeye Name: 2-[2-(benzylcarbamoyl)-4,5-dimethyl-3-phenyl-phenyl]ethyl methanesulfonate CAS Name: methanesulfonic acid 2-[4,5-dimethyl-2-[oxo-[(phenylmethyl)amino]methyl]-3-phenylphenyl]ethyl ester IUPAC Name: 2-[2-(benzylcarbamoyl)-4,5-dimethyl-3-phenylphenyl]ethyl methanesulfonate Traditional Name: methanesulfonic acid 2-[2-(benzylcarbamoyl)-4,5-dimethyl-3-phenyl-phenyl]ethyl ester Formula: C25H27NO4S MolecularWeight: 437.55118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1)CCOS(=O)(=O)C)C(=O)NCC2=CC=CC=C2)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C(=C(C(=C1)CCOS(=O)(=O)C)C(=O)NCC2=CC=CC=C2)C3=CC=CC=C3)C

InChI

InChI=1S/C25H27NO4S/c1-18-16-22(14-15-30-31(3,28)29)24(23(19(18)2)21-12-8-5-9-13-21)25(27)26-17-20-10-6-4-7-11-20/h4-13,16H,14-15,17H2,1-3H3,(H,26,27)