[5-[[butan-2-yl-(4-phenylphenyl)carbonyl-amino]methyl]-2-methoxy-phenyl] ethanesulfonate

Systemtic Name: [5-[[butan-2-yl-(4-phenylphenyl)carbonyl-amino]methyl]-2-methoxy-phenyl] ethanesulfonate Openeye Name: [2-methoxy-5-[[(4-phenylbenzoyl)-sec-butyl-amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [5-[[butan-2-yl-[oxo-(4-phenylphenyl)methyl]amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[butan-2-yl-(4-phenylbenzoyl)amino]methyl]-2-methoxyphenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [2-methoxy-5-[[(4-phenylbenzoyl)-sec-butyl-amino]methyl]phenyl] ester Formula: C27H31NO5S MolecularWeight: 481.60374

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)CC)C(=O)C2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

CCC(C)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)CC)C(=O)C2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C27H31NO5S/c1-5-20(3)28(19-21-12-17-25(32-4)26(18-21)33-34(30,31)6-2)27(29)24-15-13-23(14-16-24)22-10-8-7-9-11-22/h7-18,20H,5-6,19H2,1-4H3