[5-[[butan-2-yl-[(phenylmethyl)carbamoyl]amino]methyl]-2-methoxy-phenyl] ethanesulfonate

Systemtic Name: [5-[[butan-2-yl-[(phenylmethyl)carbamoyl]amino]methyl]-2-methoxy-phenyl] ethanesulfonate Openeye Name: [5-[[benzylcarbamoyl(sec-butyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [5-[[butan-2-yl-[oxo-[(phenylmethyl)amino]methyl]amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[benzylcarbamoyl(butan-2-yl)amino]methyl]-2-methoxyphenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[benzylcarbamoyl(sec-butyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C22H30N2O5S MolecularWeight: 434.549

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)CC)C(=O)NCC2=CC=CC=C2

Isomeric SMILES

CCC(C)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)CC)C(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C22H30N2O5S/c1-5-17(3)24(22(25)23-15-18-10-8-7-9-11-18)16-19-12-13-20(28-4)21(14-19)29-30(26,27)6-2/h7-14,17H,5-6,15-16H2,1-4H3,(H,23,25)