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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)OC)Cl

Isomeric SMILES

CN(CC(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)OC)Cl

InChI

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