N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]thiophene-2-sulfonamide

Systemtic Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]thiophene-2-sulfonamide Openeye Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]thiophene-2-sulfonamide CAS Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methyl-1-piperazin-4-iumyl)ethyl]-2-thiophenesulfonamide IUPAC Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]thiophene-2-sulfonamide Traditional Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]thiophene-2-sulfonamide Formula: C19H29N4O2S2+ MolecularWeight: 409.58916

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(CNS(=O)(=O)C2=CC=CS2)C3=CC=C(C=C3)N(C)C

Isomeric SMILES

C[NH+]1CCN(CC1)[C@H](CNS(=O)(=O)C2=CC=CS2)C3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C19H28N4O2S2/c1-21(2)17-8-6-16(7-9-17)18(23-12-10-22(3)11-13-23)15-20-27(24,25)19-5-4-14-26-19/h4-9,14,18,20H,10-13,15H2,1-3H3/p+1/t18-/m1/s1