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

Systemtic Name: N-[(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-pyridin-3-yl-ethyl]thiophene-2-sulfonamide Openeye Name: N-[(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-(3-pyridyl)ethyl]thiophene-2-sulfonamide CAS Name: N-[(2S)-2-(4-ethyl-1-piperazin-4-iumyl)-2-(3-pyridinyl)ethyl]-2-thiophenesulfonamide IUPAC Name: N-[(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-pyridin-3-ylethyl]thiophene-2-sulfonamide Traditional Name: N-[(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-(3-pyridyl)ethyl]thiophene-2-sulfonamide Formula: C17H25N4O2S2+ MolecularWeight: 381.536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N4O2S2/c1-2-20-8-10-21(11-9-20)16(15-5-3-7-18-13-15)14-19-25(22,23)17-6-4-12-24-17/h3-7,12-13,16,19H,2,8-11,14H2,1H3/p+1/t16-/m1/s1