[5-[[2-dimethylaminoethyl(propan-2-ylcarbamoyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate

Systemtic Name: [5-[[2-dimethylaminoethyl(propan-2-ylcarbamoyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate Openeye Name: [5-[[2-dimethylaminoethyl(isopropylcarbamoyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [5-[[2-dimethylaminoethyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[2-dimethylaminoethyl(propan-2-ylcarbamoyl)amino]methyl]-2-methoxyphenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[2-dimethylaminoethyl(isopropylcarbamoyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C18H31N3O5S MolecularWeight: 401.52084

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=C(C=CC(=C1)CN(CCN(C)C)C(=O)NC(C)C)OC

Isomeric SMILES

CCS(=O)(=O)OC1=C(C=CC(=C1)CN(CCN(C)C)C(=O)NC(C)C)OC

InChI

InChI=1S/C18H31N3O5S/c1-7-27(23,24)26-17-12-15(8-9-16(17)25-6)13-21(11-10-20(4)5)18(22)19-14(2)3/h8-9,12,14H,7,10-11,13H2,1-6H3,(H,19,22)