3,4-dimethoxy-N-[(2S)-2-(4-phenylpiperazin-1-ium-1-yl)propyl]benzenesulfonamide

Systemtic Name: 3,4-dimethoxy-N-[(2S)-2-(4-phenylpiperazin-1-ium-1-yl)propyl]benzenesulfonamide Openeye Name: 3,4-dimethoxy-N-[(2S)-2-(4-phenylpiperazin-1-ium-1-yl)propyl]benzenesulfonamide CAS Name: 3,4-dimethoxy-N-[(2S)-2-(4-phenyl-1-piperazin-1-iumyl)propyl]benzenesulfonamide IUPAC Name: 3,4-dimethoxy-N-[(2S)-2-(4-phenylpiperazin-1-ium-1-yl)propyl]benzenesulfonamide Traditional Name: 3,4-dimethoxy-N-[(2S)-2-(4-phenylpiperazin-1-ium-1-yl)propyl]benzenesulfonamide Formula: C21H30N3O4S+ MolecularWeight: 420.5456

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNS(=O)(=O)C1=CC(=C(C=C1)OC)OC)[NH+]2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](CNS(=O)(=O)C1=CC(=C(C=C1)OC)OC)[NH+]2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C21H29N3O4S/c1-17(23-11-13-24(14-12-23)18-7-5-4-6-8-18)16-22-29(25,26)19-9-10-20(27-2)21(15-19)28-3/h4-10,15,17,22H,11-14,16H2,1-3H3/p+1/t17-/m0/s1