1-[5-methyl-3-phenyl-2-[(phenylmethyl)carbamoyl]phenyl]propan-2-yl methanesulfonate

Systemtic Name: 1-[5-methyl-3-phenyl-2-[(phenylmethyl)carbamoyl]phenyl]propan-2-yl methanesulfonate Openeye Name: [2-[2-(benzylcarbamoyl)-5-methyl-3-phenyl-phenyl]-1-methyl-ethyl] methanesulfonate CAS Name: methanesulfonic acid 1-[5-methyl-2-[oxo-[(phenylmethyl)amino]methyl]-3-phenylphenyl]propan-2-yl ester IUPAC Name: 1-[2-(benzylcarbamoyl)-5-methyl-3-phenylphenyl]propan-2-yl methanesulfonate Traditional Name: methanesulfonic acid [2-[2-(benzylcarbamoyl)-5-methyl-3-phenyl-phenyl]-1-methyl-ethyl] ester Formula: C25H27NO4S MolecularWeight: 437.55118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C2=CC=CC=C2)C(=O)NCC3=CC=CC=C3)CC(C)OS(=O)(=O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C2=CC=CC=C2)C(=O)NCC3=CC=CC=C3)CC(C)OS(=O)(=O)C

InChI

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