2-chloranyl-N-[(2S)-1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzamide

Systemtic Name: 2-chloranyl-N-[(2S)-1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: N-[(1S)-1-(4-benzhydrylpiperazin-4-ium-1-carbonyl)-3-methylsulfanyl-propyl]-2-chloro-benzamide CAS Name: 2-chloro-N-[(2S)-1-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-4-(methylthio)-1-oxobutan-2-yl]benzamide IUPAC Name: N-[(2S)-1-(4-benzhydrylpiperazin-4-ium-1-yl)-4-methylsulfanyl-1-oxobutan-2-yl]-2-chlorobenzamide Traditional Name: N-[(1S)-1-(4-benzhydrylpiperazin-4-ium-1-carbonyl)-3-(methylthio)propyl]-2-chloro-benzamide Formula: C29H33ClN3O2S+ MolecularWeight: 523.10922

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)N1CC[NH+](CC1)C(C2=CC=CC=C2)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4Cl

Isomeric SMILES

CSCC[C@@H](C(=O)N1CC[NH+](CC1)C(C2=CC=CC=C2)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C29H32ClN3O2S/c1-36-21-16-26(31-28(34)24-14-8-9-15-25(24)30)29(35)33-19-17-32(18-20-33)27(22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-15,26-27H,16-21H2,1H3,(H,31,34)/p+1/t26-/m0/s1