N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-[(2R)-2-methylpiperidin-1-yl]sulfonyl-benzamide

Systemtic Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-[(2R)-2-methylpiperidin-1-yl]sulfonyl-benzamide Openeye Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-[[(2R)-2-methyl-1-piperidyl]sulfonyl]benzamide CAS Name: N-[4-(4-ethyl-1-piperazin-4-iumyl)phenyl]-4-[[(2R)-2-methyl-1-piperidinyl]sulfonyl]benzamide IUPAC Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide Traditional Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-[(2R)-2-methylpiperidino]sulfonyl-benzamide Formula: C25H35N4O3S+ MolecularWeight: 471.6354

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC[C@H]4C

InChI

InChI=1S/C25H34N4O3S/c1-3-27-16-18-28(19-17-27)23-11-9-22(10-12-23)26-25(30)21-7-13-24(14-8-21)33(31,32)29-15-5-4-6-20(29)2/h7-14,20H,3-6,15-19H2,1-2H3,(H,26,30)/p+1/t20-/m1/s1