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

Systemtic Name: 4-[(2S)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanoyl]-1,3-dihydroquinoxalin-2-one Openeye Name: 4-[(2S)-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]propanoyl]-1,3-dihydroquinoxalin-2-one CAS Name: 4-[(2S)-1-oxo-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)propyl]-1,3-dihydroquinoxalin-2-one IUPAC Name: 4-[(2S)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanoyl]-1,3-dihydroquinoxalin-2-one Traditional Name: 4-[(2S)-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]propanoyl]-1,3-dihydroquinoxalin-2-one Formula: C19H23N4O4S2+ MolecularWeight: 435.54032

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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=CS4

Isomeric SMILES

C[C@@H](C(=O)N1CC(=O)NC2=CC=CC=C21)[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C19H22N4O4S2/c1-14(19(25)23-13-17(24)20-15-5-2-3-6-16(15)23)21-8-10-22(11-9-21)29(26,27)18-7-4-12-28-18/h2-7,12,14H,8-11,13H2,1H3,(H,20,24)/p+1/t14-/m0/s1