(2S)-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]-N-quinolin-5-yl-propanamide

Systemtic Name: (2S)-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]-N-quinolin-5-yl-propanamide Openeye Name: (2S)-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-(5-quinolyl)propanamide CAS Name: (2S)-2-[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]-N-(5-quinolinyl)propanamide IUPAC Name: (2S)-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-quinolin-5-ylpropanamide Traditional Name: (2S)-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-(5-quinolyl)propionamide Formula: C23H27N4O3S+ MolecularWeight: 439.55048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC2=C1C=CC=N2)[NH+]3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC2=C1C=CC=N2)[NH+]3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C23H26N4O3S/c1-18(23(28)25-22-11-5-10-21-20(22)9-6-12-24-21)26-13-15-27(16-14-26)31(29,30)17-19-7-3-2-4-8-19/h2-12,18H,13-17H2,1H3,(H,25,28)/p+1/t18-/m0/s1