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

Systemtic Name: [4-[[2-dimethylaminoethyl(ethylcarbamoyl)amino]methyl]phenyl] propane-2-sulfonate Openeye Name: [4-[[2-dimethylaminoethyl(ethylcarbamoyl)amino]methyl]phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [4-[[2-dimethylaminoethyl(ethylcarbamoyl)amino]methyl]phenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [4-[[2-dimethylaminoethyl(ethylcarbamoyl)amino]methyl]phenyl] ester Formula: C17H29N3O4S MolecularWeight: 371.49486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H29N3O4S/c1-6-18-17(21)20(12-11-19(4)5)13-15-7-9-16(10-8-15)24-25(22,23)14(2)3/h7-10,14H,6,11-13H2,1-5H3,(H,18,21)