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

Systemtic Name: [4-[[(4-ethoxyphenyl)carbamoyl-(3-methylbutyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[(4-ethoxyphenyl)carbamoyl-isopentyl-amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[(4-ethoxyanilino)-oxomethyl]-(3-methylbutyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[(4-ethoxyphenyl)carbamoyl-(3-methylbutyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[isoamyl(p-phenetylcarbamoyl)amino]methyl]phenyl] ester Formula: C22H30N2O5S MolecularWeight: 434.549

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)N(CCC(C)C)CC2=CC=C(C=C2)OS(=O)(=O)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)N(CCC(C)C)CC2=CC=C(C=C2)OS(=O)(=O)C

InChI

InChI=1S/C22H30N2O5S/c1-5-28-20-12-8-19(9-13-20)23-22(25)24(15-14-17(2)3)16-18-6-10-21(11-7-18)29-30(4,26)27/h6-13,17H,5,14-16H2,1-4H3,(H,23,25)