[4-[[butan-2-yl-[(3,5-dimethoxyphenyl)carbamoyl]amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [4-[[butan-2-yl-[(3,5-dimethoxyphenyl)carbamoyl]amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[(3,5-dimethoxyphenyl)carbamoyl-sec-butyl-amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[[butan-2-yl-[(3,5-dimethoxyanilino)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[butan-2-yl-[(3,5-dimethoxyphenyl)carbamoyl]amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[(3,5-dimethoxyphenyl)carbamoyl-sec-butyl-amino]methyl]phenyl] ester Formula: C22H30N2O6S MolecularWeight: 450.5484

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC=C(C=C1)OS(=O)(=O)CC)C(=O)NC2=CC(=CC(=C2)OC)OC

Isomeric SMILES

CCC(C)N(CC1=CC=C(C=C1)OS(=O)(=O)CC)C(=O)NC2=CC(=CC(=C2)OC)OC

InChI

InChI=1S/C22H30N2O6S/c1-6-16(3)24(15-17-8-10-19(11-9-17)30-31(26,27)7-2)22(25)23-18-12-20(28-4)14-21(13-18)29-5/h8-14,16H,6-7,15H2,1-5H3,(H,23,25)