(2S)-N-phenyl-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]butanamide

Systemtic Name: (2S)-N-phenyl-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]butanamide Openeye Name: (2S)-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-phenyl-butanamide CAS Name: (2S)-N-phenyl-2-[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]butanamide IUPAC Name: (2S)-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-phenylbutanamide Traditional Name: (2S)-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-phenyl-butyramide Formula: C21H28N3O3S+ MolecularWeight: 402.53032

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1)[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC[C@@H](C(=O)NC1=CC=CC=C1)[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O3S/c1-2-20(21(25)22-19-11-7-4-8-12-19)23-13-15-24(16-14-23)28(26,27)17-18-9-5-3-6-10-18/h3-12,20H,2,13-17H2,1H3,(H,22,25)/p+1/t20-/m0/s1