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

Systemtic Name: N-[2-(phenylmethyl)phenyl]-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-benzylphenyl)-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[2-(phenylmethyl)phenyl]-2-[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-benzylphenyl)-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(2-benzylphenyl)-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)acetamide Formula: C26H30N3O3S+ MolecularWeight: 464.5997

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2CC3=CC=CC=C3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2CC3=CC=CC=C3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C26H29N3O3S/c30-26(27-25-14-8-7-13-24(25)19-22-9-3-1-4-10-22)20-28-15-17-29(18-16-28)33(31,32)21-23-11-5-2-6-12-23/h1-14H,15-21H2,(H,27,30)/p+1