[3-[[2-methylpropyl-(4-phenylphenyl)carbonyl-amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [3-[[2-methylpropyl-(4-phenylphenyl)carbonyl-amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[isobutyl-(4-phenylbenzoyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[2-methylpropyl-[oxo-(4-phenylphenyl)methyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[2-methylpropyl-(4-phenylbenzoyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[isobutyl-(4-phenylbenzoyl)amino]methyl]phenyl] ester Formula: C26H29NO4S MolecularWeight: 451.57776

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=CC(=C1)CN(CC(C)C)C(=O)C2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

CCS(=O)(=O)OC1=CC=CC(=C1)CN(CC(C)C)C(=O)C2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C26H29NO4S/c1-4-32(29,30)31-25-12-8-9-21(17-25)19-27(18-20(2)3)26(28)24-15-13-23(14-16-24)22-10-6-5-7-11-22/h5-17,20H,4,18-19H2,1-3H3