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

Systemtic Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-4-methyl-3-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-4-methyl-3-(1-piperidylsulfonyl)benzamide CAS Name: N-[4-(4-ethyl-1-piperazin-4-iumyl)-2-methylphenyl]-4-methyl-3-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methylphenyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-4-methyl-3-piperidinosulfonyl-benzamide Formula: C26H37N4O3S+ MolecularWeight: 485.66198

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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)C)S(=O)(=O)N4CCCCC4)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3=CC(=C(C=C3)C)S(=O)(=O)N4CCCCC4)C

InChI

InChI=1S/C26H36N4O3S/c1-4-28-14-16-29(17-15-28)23-10-11-24(21(3)18-23)27-26(31)22-9-8-20(2)25(19-22)34(32,33)30-12-6-5-7-13-30/h8-11,18-19H,4-7,12-17H2,1-3H3,(H,27,31)/p+1