[4-chloranyl-2-[[ethylcarbamoyl(propan-2-yl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate

Systemtic Name: [4-chloranyl-2-[[ethylcarbamoyl(propan-2-yl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate Openeye Name: [4-chloro-2-[[ethylcarbamoyl(isopropyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [4-chloro-2-[[ethylcarbamoyl(propan-2-yl)amino]methyl]phenyl] ester IUPAC Name: [4-chloro-2-[[ethylcarbamoyl(propan-2-yl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [4-chloro-2-[[ethylcarbamoyl(isopropyl)amino]methyl]phenyl] ester Formula: C21H26ClN3O5S MolecularWeight: 467.96624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClN3O5S/c1-5-23-21(27)25(14(2)3)13-16-12-17(22)6-11-20(16)30-31(28,29)19-9-7-18(8-10-19)24-15(4)26/h6-12,14H,5,13H2,1-4H3,(H,23,27)(H,24,26)