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

Systemtic Name: [4-[[(4-butoxyphenyl)carbonyl-(2-methoxyethyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[(4-butoxybenzoyl)-(2-methoxyethyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[(4-butoxyphenyl)-oxomethyl]-(2-methoxyethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[(4-butoxybenzoyl)-(2-methoxyethyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[(4-butoxybenzoyl)-(2-methoxyethyl)amino]methyl]phenyl] ester Formula: C22H29NO6S MolecularWeight: 435.53376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO6S/c1-4-5-15-28-20-12-8-19(9-13-20)22(24)23(14-16-27-2)17-18-6-10-21(11-7-18)29-30(3,25)26/h6-13H,4-5,14-17H2,1-3H3