N-(3-cyanothiophen-2-yl)-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide

Systemtic Name: N-(3-cyanothiophen-2-yl)-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Openeye Name: N-(3-cyano-2-thienyl)-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide CAS Name: N-(3-cyano-2-thiophenyl)-3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]benzamide IUPAC Name: N-(3-cyanothiophen-2-yl)-3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzamide Traditional Name: N-(3-cyano-2-thienyl)-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Formula: C17H19N4O3S2+ MolecularWeight: 391.48776

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=C(C=CS3)C#N

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=C(C=CS3)C#N

InChI

InChI=1S/C17H18N4O3S2/c1-20-6-8-21(9-7-20)26(23,24)15-4-2-3-13(11-15)16(22)19-17-14(12-18)5-10-25-17/h2-5,10-11H,6-9H2,1H3,(H,19,22)/p+1