[3-[[2-methoxyethyl-[(4-propan-2-ylphenyl)carbamoyl]amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [3-[[2-methoxyethyl-[(4-propan-2-ylphenyl)carbamoyl]amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[(4-isopropylphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[2-methoxyethyl-[oxo-(4-propan-2-ylanilino)methyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[2-methoxyethyl-[(4-propan-2-ylphenyl)carbamoyl]amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[2-methoxyethyl(p-cumenylcarbamoyl)amino]methyl]phenyl] ester Formula: C22H30N2O5S MolecularWeight: 434.549

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=CC(=C1)CN(CCOC)C(=O)NC2=CC=C(C=C2)C(C)C

Isomeric SMILES

CCS(=O)(=O)OC1=CC=CC(=C1)CN(CCOC)C(=O)NC2=CC=C(C=C2)C(C)C

InChI

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