[3-[[(4-butylphenyl)carbonyl-(2-methoxyethyl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [3-[[(4-butylphenyl)carbonyl-(2-methoxyethyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[(4-butylbenzoyl)-(2-methoxyethyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[[(4-butylphenyl)-oxomethyl]-(2-methoxyethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[(4-butylbenzoyl)-(2-methoxyethyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[(4-butylbenzoyl)-(2-methoxyethyl)amino]methyl]phenyl] ester Formula: C23H31NO5S MolecularWeight: 433.56094

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)N(CCOC)CC2=CC(=CC=C2)OS(=O)(=O)CC

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)N(CCOC)CC2=CC(=CC=C2)OS(=O)(=O)CC

InChI

InChI=1S/C23H31NO5S/c1-4-6-8-19-11-13-21(14-12-19)23(25)24(15-16-28-3)18-20-9-7-10-22(17-20)29-30(26,27)5-2/h7,9-14,17H,4-6,8,15-16,18H2,1-3H3