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

Systemtic Name: (2S)-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-phenylphenyl)propanamide Openeye Name: (2S)-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-(2-phenylphenyl)propanamide CAS Name: (2S)-2-[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]-N-(2-phenylphenyl)propanamide IUPAC Name: (2S)-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-(2-phenylphenyl)propanamide Traditional Name: (2S)-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-(2-phenylphenyl)propionamide Formula: C26H30N3O3S+ MolecularWeight: 464.5997

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C2=CC=CC=C2)[NH+]3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1C2=CC=CC=C2)[NH+]3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C26H29N3O3S/c1-21(26(30)27-25-15-9-8-14-24(25)23-12-6-3-7-13-23)28-16-18-29(19-17-28)33(31,32)20-22-10-4-2-5-11-22/h2-15,21H,16-20H2,1H3,(H,27,30)/p+1/t21-/m0/s1