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

Systemtic Name: [4-chloranyl-2-[[2-dimethylaminoethyl(propan-2-ylcarbamoyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate Openeye Name: [4-chloro-2-[[2-dimethylaminoethyl(isopropylcarbamoyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [4-chloro-2-[[2-dimethylaminoethyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]phenyl] ester IUPAC Name: [4-chloro-2-[[2-dimethylaminoethyl(propan-2-ylcarbamoyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [4-chloro-2-[[2-dimethylaminoethyl(isopropylcarbamoyl)amino]methyl]phenyl] ester Formula: C23H31ClN4O5S MolecularWeight: 511.03404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31ClN4O5S/c1-16(2)25-23(30)28(13-12-27(4)5)15-18-14-19(24)6-11-22(18)33-34(31,32)21-9-7-20(8-10-21)26-17(3)29/h6-11,14,16H,12-13,15H2,1-5H3,(H,25,30)(H,26,29)