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(2S)-3-methyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-2-(phenylsulfonylamino)butanamide

(2S)-3-methyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-2-(phenylsulfonylamino)butanamide

Systemtic Name:(2S)-3-methyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-2-(phenylsulfonylamino)butanamide
Openeye Name:(2S)-2-(benzenesulfonamido)-3-methyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]butanamide
CAS Name:(2S)-2-(benzenesulfonamido)-3-methyl-N-[2-(4-phenyl-1-piperazin-1-iumyl)ethyl]butanamide
IUPAC Name:(2S)-2-(benzenesulfonamido)-3-methyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]butanamide
Traditional Name:(2S)-2-(benzenesulfonamido)-3-methyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]butyramide
Formula: C23H33N4O3S+
MolecularWeight: 445.59812
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC[NH+]1CCN(CC1)C2=CC=CC=C2)NS(=O)(=O)C3=CC=CC=C3


Isomeric SMILES

CC(C)[C@@H](C(=O)NCC[NH+]1CCN(CC1)C2=CC=CC=C2)NS(=O)(=O)C3=CC=CC=C3


InChI

InChI=1S/C23H32N4O3S/c1-19(2)22(25-31(29,30)21-11-7-4-8-12-21)23(28)24-13-14-26-15-17-27(18-16-26)20-9-5-3-6-10-20/h3-12,19,22,25H,13-18H2,1-2H3,(H,24,28)/p+1/t22-/m0/s1


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