2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-N-[(2S)-2-phenyl-2-thiophen-2-ylsulfonyl-ethyl]ethanamide

Systemtic Name: 2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-N-[(2S)-2-phenyl-2-thiophen-2-ylsulfonyl-ethyl]ethanamide Openeye Name: 2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-N-[(2S)-2-phenyl-2-(2-thienylsulfonyl)ethyl]acetamide CAS Name: 2-(4-methyl-1-piperazin-4-iumyl)-2-oxo-N-[(2S)-2-phenyl-2-thiophen-2-ylsulfonylethyl]acetamide IUPAC Name: 2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-N-[(2S)-2-phenyl-2-thiophen-2-ylsulfonylethyl]acetamide Traditional Name: 2-keto-2-(4-methylpiperazin-4-ium-1-yl)-N-[(2S)-2-phenyl-2-(2-thienylsulfonyl)ethyl]acetamide Formula: C19H24N3O4S2+ MolecularWeight: 422.54156

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C(=O)NCC(C2=CC=CC=C2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C(=O)NC[C@H](C2=CC=CC=C2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C19H23N3O4S2/c1-21-9-11-22(12-10-21)19(24)18(23)20-14-16(15-6-3-2-4-7-15)28(25,26)17-8-5-13-27-17/h2-8,13,16H,9-12,14H2,1H3,(H,20,23)/p+1/t16-/m1/s1