4-chloranyl-N-[2-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonylethyl]benzamide

Systemtic Name: 4-chloranyl-N-[2-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonylethyl]benzamide Openeye Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)sulfonylethyl]-4-chloro-benzamide CAS Name: 4-chloro-N-[2-[[4-(phenylmethyl)-1-piperazin-4-iumyl]sulfonyl]ethyl]benzamide IUPAC Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)sulfonylethyl]-4-chlorobenzamide Traditional Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)sulfonylethyl]-4-chloro-benzamide Formula: C20H25ClN3O3S+ MolecularWeight: 422.9488

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)S(=O)(=O)CCNC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)S(=O)(=O)CCNC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H24ClN3O3S/c21-19-8-6-18(7-9-19)20(25)22-10-15-28(26,27)24-13-11-23(12-14-24)16-17-4-2-1-3-5-17/h1-9H,10-16H2,(H,22,25)/p+1