4-methyl-2-[[2-[(4-methyl-4-oxidanidyl-piperazin-4-ium-1-yl)sulfonylmethyl]-3-phenyl-propanoyl]amino]pentanamide

Systemtic Name: 4-methyl-2-[[2-[(4-methyl-4-oxidanidyl-piperazin-4-ium-1-yl)sulfonylmethyl]-3-phenyl-propanoyl]amino]pentanamide Openeye Name: 2-[[2-benzyl-3-(4-methyl-4-oxido-piperazin-4-ium-1-yl)sulfonyl-propanoyl]amino]-4-methyl-pentanamide CAS Name: 4-methyl-2-[[2-[(4-methyl-4-oxido-1-piperazin-4-iumyl)sulfonylmethyl]-1-oxo-3-phenylpropyl]amino]pentanamide IUPAC Name: 2-[[2-benzyl-3-(4-methyl-4-oxidopiperazin-4-ium-1-yl)sulfonylpropanoyl]amino]-4-methylpentanamide Traditional Name: 2-[[2-benzyl-3-(4-methyl-4-oxido-piperazin-4-ium-1-yl)sulfonyl-propanoyl]amino]-4-methyl-valeramide Formula: C21H34N4O5S MolecularWeight: 454.58346

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N)NC(=O)C(CC1=CC=CC=C1)CS(=O)(=O)N2CC[N+](CC2)(C)[O-]

Isomeric SMILES

CC(C)CC(C(=O)N)NC(=O)C(CC1=CC=CC=C1)CS(=O)(=O)N2CC[N+](CC2)(C)[O-]

InChI

InChI=1S/C21H34N4O5S/c1-16(2)13-19(20(22)26)23-21(27)18(14-17-7-5-4-6-8-17)15-31(29,30)24-9-11-25(3,28)12-10-24/h4-8,16,18-19H,9-15H2,1-3H3,(H2,22,26)(H,23,27)