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

Systemtic Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonyl-phenyl]-3,4-dimethyl-benzamide Openeye Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-(1-piperidylsulfonyl)phenyl]-3,4-dimethyl-benzamide CAS Name: N-[2-(4-ethyl-1-piperazin-4-iumyl)-5-(1-piperidinylsulfonyl)phenyl]-3,4-dimethylbenzamide IUPAC Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonylphenyl]-3,4-dimethylbenzamide Traditional Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-piperidinosulfonyl-phenyl]-3,4-dimethyl-benzamide Formula: C26H37N4O3S+ MolecularWeight: 485.66198

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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(=C(C=C4)C)C

Isomeric SMILES

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

InChI

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