2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(E)-(phenylmethylidene)amino]ethanamide

Systemtic Name: 2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(E)-(phenylmethylidene)amino]ethanamide Openeye Name: N-[(E)-benzylideneamino]-2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-(4-bromophenyl)sulfonyl-1-piperazin-1-iumyl]-N-[(E)-(phenylmethylene)amino]acetamide IUPAC Name: N-[(E)-benzylideneamino]-2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-[(E)-benzalamino]-2-(4-brosylpiperazin-1-ium-1-yl)acetamide Formula: C19H22BrN4O3S+ MolecularWeight: 466.37198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N/N=C/C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C19H21BrN4O3S/c20-17-6-8-18(9-7-17)28(26,27)24-12-10-23(11-13-24)15-19(25)22-21-14-16-4-2-1-3-5-16/h1-9,14H,10-13,15H2,(H,22,25)/p+1/b21-14+