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

Systemtic Name: (2S)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)-N-propan-2-yl-propanamide Openeye Name: (2S)-N-isopropyl-2-[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-2-[4-(2-naphthalenylsulfonyl)-1-piperazin-1-iumyl]-N-propan-2-ylpropanamide IUPAC Name: (2S)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)-N-propan-2-ylpropanamide Traditional Name: (2S)-N-isopropyl-2-[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]propionamide Formula: C20H28N3O3S+ MolecularWeight: 390.51962

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C(C)[NH+]1CCN(CC1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

C[C@@H](C(=O)NC(C)C)[NH+]1CCN(CC1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C20H27N3O3S/c1-15(2)21-20(24)16(3)22-10-12-23(13-11-22)27(25,26)19-9-8-17-6-4-5-7-18(17)14-19/h4-9,14-16H,10-13H2,1-3H3,(H,21,24)/p+1/t16-/m0/s1