4-[(2S)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]propanoyl]-1,3-dihydroquinoxalin-2-one

Systemtic Name: 4-[(2S)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]propanoyl]-1,3-dihydroquinoxalin-2-one Openeye Name: 4-[(2S)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]propanoyl]-1,3-dihydroquinoxalin-2-one CAS Name: 4-[(2S)-2-[4-(3-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]-1-oxopropyl]-1,3-dihydroquinoxalin-2-one IUPAC Name: 4-[(2S)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]propanoyl]-1,3-dihydroquinoxalin-2-one Traditional Name: 4-[(2S)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]propanoyl]-1,3-dihydroquinoxalin-2-one Formula: C21H24ClN4O4S+ MolecularWeight: 463.95766

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC(=O)NC2=CC=CC=C21)[NH+]3CCN(CC3)S(=O)(=O)C4=CC(=CC=C4)Cl

Isomeric SMILES

C[C@@H](C(=O)N1CC(=O)NC2=CC=CC=C21)[NH+]3CCN(CC3)S(=O)(=O)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H23ClN4O4S/c1-15(21(28)26-14-20(27)23-18-7-2-3-8-19(18)26)24-9-11-25(12-10-24)31(29,30)17-6-4-5-16(22)13-17/h2-8,13,15H,9-12,14H2,1H3,(H,23,27)/p+1/t15-/m0/s1