N-(4-methylpiperazin-4-ium-1-yl)-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-benzamide

Systemtic Name: N-(4-methylpiperazin-4-ium-1-yl)-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-benzamide Openeye Name: N-(4-methylpiperazin-4-ium-1-yl)-3-[[(2S)-2-methyl-1-piperidyl]sulfonyl]benzamide CAS Name: N-(4-methyl-1-piperazin-4-iumyl)-3-[[(2S)-2-methyl-1-piperidinyl]sulfonyl]benzamide IUPAC Name: N-(4-methylpiperazin-4-ium-1-yl)-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide Traditional Name: N-(4-methylpiperazin-4-ium-1-yl)-3-[(2S)-2-methylpiperidino]sulfonyl-benzamide Formula: C18H29N4O3S+ MolecularWeight: 381.51286

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)NN3CC[NH+](CC3)C

Isomeric SMILES

C[C@H]1CCCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)NN3CC[NH+](CC3)C

InChI

InChI=1S/C18H28N4O3S/c1-15-6-3-4-9-22(15)26(24,25)17-8-5-7-16(14-17)18(23)19-21-12-10-20(2)11-13-21/h5,7-8,14-15H,3-4,6,9-13H2,1-2H3,(H,19,23)/p+1/t15-/m0/s1