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

Systemtic Name: [4-[[(3-ethylphenyl)carbamoyl-(3-methylbutyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[(3-ethylphenyl)carbamoyl-isopentyl-amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[(3-ethylanilino)-oxomethyl]-(3-methylbutyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[(3-ethylphenyl)carbamoyl-(3-methylbutyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[(3-ethylphenyl)carbamoyl-isoamyl-amino]methyl]phenyl] ester Formula: C22H30N2O4S MolecularWeight: 418.5496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O4S/c1-5-18-7-6-8-20(15-18)23-22(25)24(14-13-17(2)3)16-19-9-11-21(12-10-19)28-29(4,26)27/h6-12,15,17H,5,13-14,16H2,1-4H3,(H,23,25)