[4-[[cyclopropyl(propan-2-ylcarbamoyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate

Systemtic Name: [4-[[cyclopropyl(propan-2-ylcarbamoyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate Openeye Name: [4-[[cyclopropyl(isopropylcarbamoyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [4-[[cyclopropyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[cyclopropyl(propan-2-ylcarbamoyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [4-[[cyclopropyl(isopropylcarbamoyl)amino]methyl]phenyl] ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)N(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)OC)C3CC3

Isomeric SMILES

CC(C)NC(=O)N(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)OC)C3CC3

InChI

InChI=1S/C21H26N2O5S/c1-15(2)22-21(24)23(17-6-7-17)14-16-4-8-19(9-5-16)28-29(25,26)20-12-10-18(27-3)11-13-20/h4-5,8-13,15,17H,6-7,14H2,1-3H3,(H,22,24)