[4-chloranyl-2-[[2-methoxyethyl(propan-2-ylcarbamoyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate

Systemtic Name: [4-chloranyl-2-[[2-methoxyethyl(propan-2-ylcarbamoyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate Openeye Name: [4-chloro-2-[[isopropylcarbamoyl(2-methoxyethyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [4-chloro-2-[[2-methoxyethyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]phenyl] ester IUPAC Name: [4-chloro-2-[[2-methoxyethyl(propan-2-ylcarbamoyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [4-chloro-2-[[isopropylcarbamoyl(2-methoxyethyl)amino]methyl]phenyl] ester Formula: C22H28ClN3O6S MolecularWeight: 497.99222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)N(CCOC)CC1=C(C=CC(=C1)Cl)OS(=O)(=O)C2=CC=C(C=C2)NC(=O)C

Isomeric SMILES

CC(C)NC(=O)N(CCOC)CC1=C(C=CC(=C1)Cl)OS(=O)(=O)C2=CC=C(C=C2)NC(=O)C

InChI

InChI=1S/C22H28ClN3O6S/c1-15(2)24-22(28)26(11-12-31-4)14-17-13-18(23)5-10-21(17)32-33(29,30)20-8-6-19(7-9-20)25-16(3)27/h5-10,13,15H,11-12,14H2,1-4H3,(H,24,28)(H,25,27)