N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanyl-ethanamide Openeye Name: N-[(4S)-chroman-4-yl]-2-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]sulfanyl]acetamide CAS Name: N-[(4S)-3,4-dihydro-2H-1-benzopyran-4-yl]-2-[[5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-pyridinyl]thio]acetamide IUPAC Name: N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanylacetamide Traditional Name: N-[(4S)-chroman-4-yl]-2-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]thio]acetamide Formula: C21H27N4O4S2+ MolecularWeight: 463.59348

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)NC3CCOC4=CC=CC=C34

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)N[C@H]3CCOC4=CC=CC=C34

InChI

InChI=1S/C21H26N4O4S2/c1-24-9-11-25(12-10-24)31(27,28)16-6-7-21(22-14-16)30-15-20(26)23-18-8-13-29-19-5-3-2-4-17(18)19/h2-7,14,18H,8-13,15H2,1H3,(H,23,26)/p+1/t18-/m0/s1