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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29NO4S/c1-4-20(3)27(19-21-10-9-13-25(18-21)31-32(29,30)5-2)26(28)24-16-14-23(15-17-24)22-11-7-6-8-12-22/h6-18,20H,4-5,19H2,1-3H3