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

Systemtic Name: (2S)-N-ethyl-2-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanyl-N-phenyl-propanamide Openeye Name: (2S)-N-ethyl-2-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]sulfanyl]-N-phenyl-propanamide CAS Name: (2S)-N-ethyl-2-[[5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-pyridinyl]thio]-N-phenylpropanamide IUPAC Name: (2S)-N-ethyl-2-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanyl-N-phenylpropanamide Traditional Name: (2S)-N-ethyl-2-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]thio]-N-phenyl-propionamide Formula: C21H29N4O3S2+ MolecularWeight: 449.60996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O3S2/c1-4-25(18-8-6-5-7-9-18)21(26)17(2)29-20-11-10-19(16-22-20)30(27,28)24-14-12-23(3)13-15-24/h5-11,16-17H,4,12-15H2,1-3H3/p+1/t17-/m0/s1