(3R)-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonyl-phenyl]-3-phenyl-butanamide

Systemtic Name: (3R)-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonyl-phenyl]-3-phenyl-butanamide Openeye Name: (3R)-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-(1-piperidylsulfonyl)phenyl]-3-phenyl-butanamide CAS Name: (3R)-N-[2-(4-methyl-1-piperazin-4-iumyl)-5-(1-piperidinylsulfonyl)phenyl]-3-phenylbutanamide IUPAC Name: (3R)-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonylphenyl]-3-phenylbutanamide Traditional Name: (3R)-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-piperidinosulfonyl-phenyl]-3-phenyl-butyramide Formula: C26H37N4O3S+ MolecularWeight: 485.66198

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)N3CC[NH+](CC3)C)C4=CC=CC=C4

Isomeric SMILES

C[C@H](CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)N3CC[NH+](CC3)C)C4=CC=CC=C4

InChI

InChI=1S/C26H36N4O3S/c1-21(22-9-5-3-6-10-22)19-26(31)27-24-20-23(34(32,33)30-13-7-4-8-14-30)11-12-25(24)29-17-15-28(2)16-18-29/h3,5-6,9-12,20-21H,4,7-8,13-19H2,1-2H3,(H,27,31)/p+1/t21-/m1/s1