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

Systemtic Name: [5-[[butan-2-yl-(4-ethylphenyl)carbonyl-amino]methyl]-2-methoxy-phenyl] ethanesulfonate Openeye Name: [5-[[(4-ethylbenzoyl)-sec-butyl-amino]methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [5-[[butan-2-yl-[(4-ethylphenyl)-oxomethyl]amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[butan-2-yl-(4-ethylbenzoyl)amino]methyl]-2-methoxyphenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[(4-ethylbenzoyl)-sec-butyl-amino]methyl]-2-methoxy-phenyl] ester Formula: C23H31NO5S MolecularWeight: 433.56094

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)N(CC2=CC(=C(C=C2)OC)OS(=O)(=O)CC)C(C)CC

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)N(CC2=CC(=C(C=C2)OC)OS(=O)(=O)CC)C(C)CC

InChI

InChI=1S/C23H31NO5S/c1-6-17(4)24(23(25)20-12-9-18(7-2)10-13-20)16-19-11-14-21(28-5)22(15-19)29-30(26,27)8-3/h9-15,17H,6-8,16H2,1-5H3