3-chloranyl-4-methoxy-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-N-(phenylmethyl)benzenesulfonamide

Systemtic Name: 3-chloranyl-4-methoxy-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-N-(phenylmethyl)benzenesulfonamide Openeye Name: N-benzyl-3-chloro-4-methoxy-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]benzenesulfonamide CAS Name: 3-chloro-4-methoxy-N-[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethyl]-N-(phenylmethyl)benzenesulfonamide IUPAC Name: N-benzyl-3-chloro-4-methoxy-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]benzenesulfonamide Traditional Name: N-benzyl-3-chloro-N-[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-4-methoxy-benzenesulfonamide Formula: C21H27ClN3O4S+ MolecularWeight: 452.97478

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CN(CC2=CC=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)OC)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CN(CC2=CC=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)OC)Cl

InChI

InChI=1S/C21H26ClN3O4S/c1-23-10-12-24(13-11-23)21(26)16-25(15-17-6-4-3-5-7-17)30(27,28)18-8-9-20(29-2)19(22)14-18/h3-9,14H,10-13,15-16H2,1-2H3/p+1