[4-[[3-methylbutyl-(4-phenylphenyl)carbonyl-amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[3-methylbutyl-(4-phenylphenyl)carbonyl-amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[isopentyl-(4-phenylbenzoyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[3-methylbutyl-[oxo-(4-phenylphenyl)methyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[3-methylbutyl-(4-phenylbenzoyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[isoamyl-(4-phenylbenzoyl)amino]methyl]phenyl] ester Formula: C26H29NO4S MolecularWeight: 451.57776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29NO4S/c1-20(2)17-18-27(19-21-9-15-25(16-10-21)31-32(3,29)30)26(28)24-13-11-23(12-14-24)22-7-5-4-6-8-22/h4-16,20H,17-19H2,1-3H3