4-[(E)-3-oxidanylidene-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]prop-1-enyl]benzenesulfonamide

Systemtic Name: 4-[(E)-3-oxidanylidene-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]prop-1-enyl]benzenesulfonamide Openeye Name: 4-[(E)-3-(4-benzylpiperazin-4-ium-1-yl)-3-oxo-prop-1-enyl]benzenesulfonamide CAS Name: 4-[(E)-3-oxo-3-[4-(phenylmethyl)-1-piperazin-4-iumyl]prop-1-enyl]benzenesulfonamide IUPAC Name: 4-[(E)-3-(4-benzylpiperazin-4-ium-1-yl)-3-oxoprop-1-enyl]benzenesulfonamide Traditional Name: 4-[(E)-3-(4-benzylpiperazin-4-ium-1-yl)-3-keto-prop-1-enyl]benzenesulfonamide Formula: C20H24N3O3S+ MolecularWeight: 386.48786

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C=CC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)/C=C/C3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C20H23N3O3S/c21-27(25,26)19-9-6-17(7-10-19)8-11-20(24)23-14-12-22(13-15-23)16-18-4-2-1-3-5-18/h1-11H,12-16H2,(H2,21,25,26)/p+1/b11-8+