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

Systemtic Name: [2-[[2-dimethylaminoethyl(propan-2-ylcarbamoyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate Openeye Name: [2-[[2-dimethylaminoethyl(isopropylcarbamoyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [2-[[2-dimethylaminoethyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]phenyl] ester IUPAC Name: [2-[[2-dimethylaminoethyl(propan-2-ylcarbamoyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [2-[[2-dimethylaminoethyl(isopropylcarbamoyl)amino]methyl]phenyl] ester Formula: C22H31N3O5S MolecularWeight: 449.56364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)N(CCN(C)C)CC1=CC=CC=C1OS(=O)(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)NC(=O)N(CCN(C)C)CC1=CC=CC=C1OS(=O)(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C22H31N3O5S/c1-17(2)23-22(26)25(15-14-24(3)4)16-18-8-6-7-9-21(18)30-31(27,28)20-12-10-19(29-5)11-13-20/h6-13,17H,14-16H2,1-5H3,(H,23,26)