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

Systemtic Name: 4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-quinolin-3-yl-benzamide Openeye Name: 4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-(3-quinolyl)benzamide CAS Name: 4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-N-(3-quinolinyl)benzamide IUPAC Name: 4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-quinolin-3-ylbenzamide Traditional Name: 4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-(3-quinolyl)benzamide Formula: C21H23N4O3S+ MolecularWeight: 411.49732

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC4=CC=CC=C4N=C3

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC4=CC=CC=C4N=C3

InChI

InChI=1S/C21H22N4O3S/c1-24-10-12-25(13-11-24)29(27,28)19-8-6-16(7-9-19)21(26)23-18-14-17-4-2-3-5-20(17)22-15-18/h2-9,14-15H,10-13H2,1H3,(H,23,26)/p+1