[3-[[(4-butoxyphenyl)carbonyl-(2-methylpropyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [3-[[(4-butoxyphenyl)carbonyl-(2-methylpropyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [3-[[(4-butoxybenzoyl)-isobutyl-amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[[[(4-butoxyphenyl)-oxomethyl]-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[(4-butoxybenzoyl)-(2-methylpropyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[[(4-butoxybenzoyl)-isobutyl-amino]methyl]phenyl] ester Formula: C23H31NO5S MolecularWeight: 433.56094

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)N(CC2=CC(=CC=C2)OS(=O)(=O)C)CC(C)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N(CC2=CC(=CC=C2)OS(=O)(=O)C)CC(C)C

InChI

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