[4-chloranyl-2-[[2-dimethylaminoethyl(ethanoyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate

Systemtic Name: [4-chloranyl-2-[[2-dimethylaminoethyl(ethanoyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate Openeye Name: [2-[[acetyl(2-dimethylaminoethyl)amino]methyl]-4-chloro-phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [2-[[acetyl(2-dimethylaminoethyl)amino]methyl]-4-chlorophenyl] ester IUPAC Name: [2-[[acetyl(2-dimethylaminoethyl)amino]methyl]-4-chlorophenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [2-[[acetyl(2-dimethylaminoethyl)amino]methyl]-4-chloro-phenyl] ester Formula: C21H26ClN3O5S MolecularWeight: 467.96624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)Cl)CN(CCN(C)C)C(=O)C

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)Cl)CN(CCN(C)C)C(=O)C

InChI

InChI=1S/C21H26ClN3O5S/c1-15(26)23-19-6-8-20(9-7-19)31(28,29)30-21-10-5-18(22)13-17(21)14-25(16(2)27)12-11-24(3)4/h5-10,13H,11-12,14H2,1-4H3,(H,23,26)