(2S)-2-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanyl-N-[(1S)-1-phenylbutyl]propanamide

Systemtic Name: (2S)-2-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanyl-N-[(1S)-1-phenylbutyl]propanamide Openeye Name: (2S)-2-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]sulfanyl]-N-[(1S)-1-phenylbutyl]propanamide CAS Name: (2S)-2-[[5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-pyridinyl]thio]-N-[(1S)-1-phenylbutyl]propanamide IUPAC Name: (2S)-2-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanyl-N-[(1S)-1-phenylbutyl]propanamide Traditional Name: (2S)-2-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]thio]-N-[(1S)-1-phenylbutyl]propionamide Formula: C23H33N4O3S2+ MolecularWeight: 477.66312

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NC(=O)C(C)SC2=NC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CCC[C@@H](C1=CC=CC=C1)NC(=O)[C@H](C)SC2=NC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C23H32N4O3S2/c1-4-8-21(19-9-6-5-7-10-19)25-23(28)18(2)31-22-12-11-20(17-24-22)32(29,30)27-15-13-26(3)14-16-27/h5-7,9-12,17-18,21H,4,8,13-16H2,1-3H3,(H,25,28)/p+1/t18-,21-/m0/s1