3-[2-(4-methylsulfonylpiperazin-1-ium-1-yl)ethanoyl-(phenylmethyl)amino]propanamide

Systemtic Name: 3-[2-(4-methylsulfonylpiperazin-1-ium-1-yl)ethanoyl-(phenylmethyl)amino]propanamide Openeye Name: 3-[benzyl-[2-(4-methylsulfonylpiperazin-1-ium-1-yl)acetyl]amino]propanamide CAS Name: 3-[[2-(4-methylsulfonyl-1-piperazin-1-iumyl)-1-oxoethyl]-(phenylmethyl)amino]propanamide IUPAC Name: 3-[benzyl-[2-(4-methylsulfonylpiperazin-1-ium-1-yl)acetyl]amino]propanamide Traditional Name: 3-[benzyl-[2-(4-mesylpiperazin-1-ium-1-yl)acetyl]amino]propionamide Formula: C17H27N4O4S+ MolecularWeight: 383.48568

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC[NH+](CC1)CC(=O)N(CCC(=O)N)CC2=CC=CC=C2

Isomeric SMILES

CS(=O)(=O)N1CC[NH+](CC1)CC(=O)N(CCC(=O)N)CC2=CC=CC=C2

InChI

InChI=1S/C17H26N4O4S/c1-26(24,25)21-11-9-19(10-12-21)14-17(23)20(8-7-16(18)22)13-15-5-3-2-4-6-15/h2-6H,7-14H2,1H3,(H2,18,22)/p+1