2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-N-[(2S)-2-(phenylsulfonyl)-2-pyridin-3-yl-ethyl]ethanamide

Systemtic Name: 2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-N-[(2S)-2-(phenylsulfonyl)-2-pyridin-3-yl-ethyl]ethanamide Openeye Name: N-[(2S)-2-(benzenesulfonyl)-2-(3-pyridyl)ethyl]-2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-acetamide CAS Name: N-[(2S)-2-(benzenesulfonyl)-2-(3-pyridinyl)ethyl]-2-(4-methyl-1-piperazin-4-iumyl)-2-oxoacetamide IUPAC Name: N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-2-(4-methylpiperazin-4-ium-1-yl)-2-oxoacetamide Traditional Name: N-[(2S)-2-besyl-2-(3-pyridyl)ethyl]-2-keto-2-(4-methylpiperazin-4-ium-1-yl)acetamide Formula: C20H25N4O4S+ MolecularWeight: 417.5019

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O4S/c1-23-10-12-24(13-11-23)20(26)19(25)22-15-18(16-6-5-9-21-14-16)29(27,28)17-7-3-2-4-8-17/h2-9,14,18H,10-13,15H2,1H3,(H,22,25)/p+1/t18-/m1/s1