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

Systemtic Name: (2S)-N-(4-bromophenyl)-2-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanyl-propanamide Openeye Name: (2S)-N-(4-bromophenyl)-2-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]sulfanyl]propanamide CAS Name: (2S)-N-(4-bromophenyl)-2-[[5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-pyridinyl]thio]propanamide IUPAC Name: (2S)-N-(4-bromophenyl)-2-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanylpropanamide Traditional Name: (2S)-N-(4-bromophenyl)-2-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]thio]propionamide Formula: C19H24BrN4O3S2+ MolecularWeight: 500.45286

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)Br)SC2=NC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)Br)SC2=NC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C19H23BrN4O3S2/c1-14(19(25)22-16-5-3-15(20)4-6-16)28-18-8-7-17(13-21-18)29(26,27)24-11-9-23(2)10-12-24/h3-8,13-14H,9-12H2,1-2H3,(H,22,25)/p+1/t14-/m0/s1