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

Systemtic Name: 4-[(2S)-2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]propanoyl]-1,3-dihydroquinoxalin-2-one Openeye Name: 4-[(2S)-2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]propanoyl]-1,3-dihydroquinoxalin-2-one CAS Name: 4-[(2S)-2-[4-(4-tert-butylphenyl)sulfonyl-1-piperazin-1-iumyl]-1-oxopropyl]-1,3-dihydroquinoxalin-2-one IUPAC Name: 4-[(2S)-2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]propanoyl]-1,3-dihydroquinoxalin-2-one Traditional Name: 4-[(2S)-2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]propanoyl]-1,3-dihydroquinoxalin-2-one Formula: C25H33N4O4S+ MolecularWeight: 485.61892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N4O4S/c1-18(24(31)29-17-23(30)26-21-7-5-6-8-22(21)29)27-13-15-28(16-14-27)34(32,33)20-11-9-19(10-12-20)25(2,3)4/h5-12,18H,13-17H2,1-4H3,(H,26,30)/p+1/t18-/m0/s1