(2S)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)-N-(phenylmethyl)propanamide

Systemtic Name: (2S)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)-N-(phenylmethyl)propanamide Openeye Name: (2S)-N-benzyl-2-[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-2-[4-(2-naphthalenylsulfonyl)-1-piperazin-1-iumyl]-N-(phenylmethyl)propanamide IUPAC Name: (2S)-N-benzyl-2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-benzyl-2-[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]propionamide Formula: C24H28N3O3S+ MolecularWeight: 438.56242

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=CC=C1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C24H27N3O3S/c1-19(24(28)25-18-20-7-3-2-4-8-20)26-13-15-27(16-14-26)31(29,30)23-12-11-21-9-5-6-10-22(21)17-23/h2-12,17,19H,13-16,18H2,1H3,(H,25,28)/p+1/t19-/m0/s1