4-[(Z)-N-[2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]ethanoylamino]-C-methyl-carbonimidoyl]phenolate

Systemtic Name: 4-[(Z)-N-[2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]ethanoylamino]-C-methyl-carbonimidoyl]phenolate Openeye Name: 4-[(Z)-N-[[2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]-C-methyl-carbonimidoyl]phenolate CAS Name: 4-[(1Z)-1-[[2-[4-(4-bromophenyl)sulfonyl-1-piperazin-1-iumyl]-1-oxoethyl]hydrazinylidene]ethyl]phenolate IUPAC Name: 4-[(Z)-N-[[2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]-C-methylcarbonimidoyl]phenolate Traditional Name: 4-[(Z)-N-[[2-(4-brosylpiperazin-1-ium-1-yl)acetyl]amino]-C-methyl-carbonimidoyl]phenolate Formula: C20H23BrN4O4S MolecularWeight: 495.39002

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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)[O-]

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)[O-]

InChI

InChI=1S/C20H23BrN4O4S/c1-15(16-2-6-18(26)7-3-16)22-23-20(27)14-24-10-12-25(13-11-24)30(28,29)19-8-4-17(21)5-9-19/h2-9,26H,10-14H2,1H3,(H,23,27)/b22-15-