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

Systemtic Name: N-phenyl-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]-N-prop-2-enyl-ethanamide Openeye Name: N-allyl-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-phenyl-acetamide CAS Name: N-phenyl-2-[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]-N-prop-2-enylacetamide IUPAC Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-phenyl-N-prop-2-enylacetamide Traditional Name: N-allyl-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-phenyl-acetamide Formula: C22H28N3O3S+ MolecularWeight: 414.54102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O3S/c1-2-13-25(21-11-7-4-8-12-21)22(26)18-23-14-16-24(17-15-23)29(27,28)19-20-9-5-3-6-10-20/h2-12H,1,13-19H2/p+1