2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]ethanamide

Systemtic Name: 2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]ethanamide Openeye Name: 2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]acetamide CAS Name: 2-[4-(4-bromophenyl)sulfonyl-1-piperazin-1-iumyl]-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]acetamide IUPAC Name: 2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]acetamide Traditional Name: 2-(4-brosylpiperazin-1-ium-1-yl)-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]acetamide Formula: C21H26BrN4O4S+ MolecularWeight: 510.42454

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)Br)C3=CC=C(C=C3)OC

Isomeric SMILES

C/C(=N\NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)Br)/C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H25BrN4O4S/c1-16(17-3-7-19(30-2)8-4-17)23-24-21(27)15-25-11-13-26(14-12-25)31(28,29)20-9-5-18(22)6-10-20/h3-10H,11-15H2,1-2H3,(H,24,27)/p+1/b23-16+