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

Systemtic Name: [4-[[2-dimethylaminoethyl(propan-2-ylcarbamoyl)amino]methyl]phenyl] propane-2-sulfonate Openeye Name: [4-[[2-dimethylaminoethyl(isopropylcarbamoyl)amino]methyl]phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [4-[[2-dimethylaminoethyl(propan-2-ylcarbamoyl)amino]methyl]phenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [4-[[2-dimethylaminoethyl(isopropylcarbamoyl)amino]methyl]phenyl] ester Formula: C18H31N3O4S MolecularWeight: 385.52144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)N(CCN(C)C)CC1=CC=C(C=C1)OS(=O)(=O)C(C)C

Isomeric SMILES

CC(C)NC(=O)N(CCN(C)C)CC1=CC=C(C=C1)OS(=O)(=O)C(C)C

InChI

InChI=1S/C18H31N3O4S/c1-14(2)19-18(22)21(12-11-20(5)6)13-16-7-9-17(10-8-16)25-26(23,24)15(3)4/h7-10,14-15H,11-13H2,1-6H3,(H,19,22)