[3-[[2-dimethylaminoethyl(ethylcarbamoyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate

Systemtic Name: [3-[[2-dimethylaminoethyl(ethylcarbamoyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate Openeye Name: [3-[[2-dimethylaminoethyl(ethylcarbamoyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [3-[[2-dimethylaminoethyl(ethylcarbamoyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[2-dimethylaminoethyl(ethylcarbamoyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [3-[[2-dimethylaminoethyl(ethylcarbamoyl)amino]methyl]phenyl] ester Formula: C22H30N4O5S MolecularWeight: 462.5624

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N(CCN(C)C)CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)NC(=O)C

Isomeric SMILES

CCNC(=O)N(CCN(C)C)CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)NC(=O)C

InChI

InChI=1S/C22H30N4O5S/c1-5-23-22(28)26(14-13-25(3)4)16-18-7-6-8-20(15-18)31-32(29,30)21-11-9-19(10-12-21)24-17(2)27/h6-12,15H,5,13-14,16H2,1-4H3,(H,23,28)(H,24,27)