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

Systemtic Name: [3-[[butan-2-yl-(4-butoxyphenyl)carbonyl-amino]methyl]phenyl] methanesulfonate Openeye Name: [3-[[(4-butoxybenzoyl)-sec-butyl-amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[[butan-2-yl-[(4-butoxyphenyl)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[butan-2-yl-(4-butoxybenzoyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[[(4-butoxybenzoyl)-sec-butyl-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)C(C)CC

Isomeric SMILES

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

InChI

InChI=1S/C23H31NO5S/c1-5-7-15-28-21-13-11-20(12-14-21)23(25)24(18(3)6-2)17-19-9-8-10-22(16-19)29-30(4,26)27/h8-14,16,18H,5-7,15,17H2,1-4H3