N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonyl-phenyl]-3-methyl-benzamide

Systemtic Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonyl-phenyl]-3-methyl-benzamide Openeye Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-(1-piperidylsulfonyl)phenyl]-3-methyl-benzamide CAS Name: N-[2-(4-ethyl-1-piperazin-4-iumyl)-5-(1-piperidinylsulfonyl)phenyl]-3-methylbenzamide IUPAC Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonylphenyl]-3-methylbenzamide Traditional Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-piperidinosulfonyl-phenyl]-3-methyl-benzamide Formula: C25H35N4O3S+ MolecularWeight: 471.6354

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)NC(=O)C4=CC(=CC=C4)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)NC(=O)C4=CC(=CC=C4)C

InChI

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