(4S)-8-fluoranyl-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]-3,4-dihydro-2H-thiochromen-4-amine

Systemtic Name: (4S)-8-fluoranyl-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]-3,4-dihydro-2H-thiochromen-4-amine Openeye Name: (4S)-8-fluoro-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]thiochroman-4-amine CAS Name: (4S)-8-fluoro-N-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-nitrophenyl]-3,4-dihydro-2H-1-benzothiopyran-4-amine IUPAC Name: (4S)-8-fluoro-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitrophenyl]-3,4-dihydro-2H-thiochromen-4-amine Traditional Name: [(4S)-8-fluorothiochroman-4-yl]-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]amine Formula: C20H24FN4O4S2+ MolecularWeight: 467.557363

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NC3CCSC4=C3C=CC=C4F)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N[C@H]3CCSC4=C3C=CC=C4F)[N+](=O)[O-]

InChI

InChI=1S/C20H23FN4O4S2/c1-23-8-10-24(11-9-23)31(28,29)14-5-6-18(19(13-14)25(26)27)22-17-7-12-30-20-15(17)3-2-4-16(20)21/h2-6,13,17,22H,7-12H2,1H3/p+1/t17-/m0/s1