2-[[3-acetamido-4-(4-chlorophenyl)sulfanyl-phenyl]carbonylamino]ethyl-butyl-methyl-azanium

Systemtic Name: 2-[[3-acetamido-4-(4-chlorophenyl)sulfanyl-phenyl]carbonylamino]ethyl-butyl-methyl-azanium Openeye Name: 2-[[3-acetamido-4-(4-chlorophenyl)sulfanyl-benzoyl]amino]ethyl-butyl-methyl-ammonium CAS Name: 2-[[[3-acetamido-4-[(4-chlorophenyl)thio]phenyl]-oxomethyl]amino]ethyl-butyl-methylammonium IUPAC Name: 2-[[3-acetamido-4-(4-chlorophenyl)sulfanylbenzoyl]amino]ethyl-butyl-methylazanium Traditional Name: 2-[[3-acetamido-4-[(4-chlorophenyl)thio]benzoyl]amino]ethyl-butyl-methyl-ammonium Formula: C22H29ClN3O2S+ MolecularWeight: 435.00256

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](C)CCNC(=O)C1=CC(=C(C=C1)SC2=CC=C(C=C2)Cl)NC(=O)C

Isomeric SMILES

CCCC[NH+](C)CCNC(=O)C1=CC(=C(C=C1)SC2=CC=C(C=C2)Cl)NC(=O)C

InChI

InChI=1S/C22H28ClN3O2S/c1-4-5-13-26(3)14-12-24-22(28)17-6-11-21(20(15-17)25-16(2)27)29-19-9-7-18(23)8-10-19/h6-11,15H,4-5,12-14H2,1-3H3,(H,24,28)(H,25,27)/p+1