N-(4-cyanophenyl)-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-piperazine-1-carboxamide

Systemtic Name: N-(4-cyanophenyl)-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-piperazine-1-carboxamide Openeye Name: N-(4-cyanophenyl)-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-piperazine-1-carboxamide CAS Name: N-(4-cyanophenyl)-4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-1-piperazinecarboxamide IUPAC Name: N-(4-cyanophenyl)-4-(4-methylpiperazin-4-ium-1-yl)sulfonylpiperazine-1-carboxamide Traditional Name: N-(4-cyanophenyl)-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-piperazine-1-carboxamide Formula: C17H25N6O3S+ MolecularWeight: 393.4838

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)NC3=CC=C(C=C3)C#N

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C17H24N6O3S/c1-20-6-10-22(11-7-20)27(25,26)23-12-8-21(9-13-23)17(24)19-16-4-2-15(14-18)3-5-16/h2-5H,6-13H2,1H3,(H,19,24)/p+1