[4-[[(4-ethylphenyl)carbonyl-(3-methylbutyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[(4-ethylphenyl)carbonyl-(3-methylbutyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[(4-ethylbenzoyl)-isopentyl-amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[(4-ethylphenyl)-oxomethyl]-(3-methylbutyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[(4-ethylbenzoyl)-(3-methylbutyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[(4-ethylbenzoyl)-isoamyl-amino]methyl]phenyl] ester Formula: C22H29NO4S MolecularWeight: 403.53496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO4S/c1-5-18-6-10-20(11-7-18)22(24)23(15-14-17(2)3)16-19-8-12-21(13-9-19)27-28(4,25)26/h6-13,17H,5,14-16H2,1-4H3