(2R)-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonyl-phenyl]-2-phenyl-butanamide

Systemtic Name: (2R)-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonyl-phenyl]-2-phenyl-butanamide Openeye Name: (2R)-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-(1-piperidylsulfonyl)phenyl]-2-phenyl-butanamide CAS Name: (2R)-N-[2-(4-methyl-1-piperazin-4-iumyl)-5-(1-piperidinylsulfonyl)phenyl]-2-phenylbutanamide IUPAC Name: (2R)-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonylphenyl]-2-phenylbutanamide Traditional Name: (2R)-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-piperidinosulfonyl-phenyl]-2-phenyl-butyramide Formula: C26H37N4O3S+ MolecularWeight: 485.66198

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)N4CC[NH+](CC4)C

Isomeric SMILES

CC[C@H](C1=CC=CC=C1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)N4CC[NH+](CC4)C

InChI

InChI=1S/C26H36N4O3S/c1-3-23(21-10-6-4-7-11-21)26(31)27-24-20-22(34(32,33)30-14-8-5-9-15-30)12-13-25(24)29-18-16-28(2)17-19-29/h4,6-7,10-13,20,23H,3,5,8-9,14-19H2,1-2H3,(H,27,31)/p+1/t23-/m1/s1