N-[(2S)-2-(4-methylpiperazin-4-ium-1-yl)-2-pyridin-3-yl-ethyl]thiophene-2-sulfonamide

Systemtic Name: N-[(2S)-2-(4-methylpiperazin-4-ium-1-yl)-2-pyridin-3-yl-ethyl]thiophene-2-sulfonamide Openeye Name: N-[(2S)-2-(4-methylpiperazin-4-ium-1-yl)-2-(3-pyridyl)ethyl]thiophene-2-sulfonamide CAS Name: N-[(2S)-2-(4-methyl-1-piperazin-4-iumyl)-2-(3-pyridinyl)ethyl]-2-thiophenesulfonamide IUPAC Name: N-[(2S)-2-(4-methylpiperazin-4-ium-1-yl)-2-pyridin-3-ylethyl]thiophene-2-sulfonamide Traditional Name: N-[(2S)-2-(4-methylpiperazin-4-ium-1-yl)-2-(3-pyridyl)ethyl]thiophene-2-sulfonamide Formula: C16H23N4O2S2+ MolecularWeight: 367.50942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4O2S2/c1-19-7-9-20(10-8-19)15(14-4-2-6-17-12-14)13-18-24(21,22)16-5-3-11-23-16/h2-6,11-12,15,18H,7-10,13H2,1H3/p+1/t15-/m1/s1