2-methylsulfonyl-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]benzamide

Systemtic Name: 2-methylsulfonyl-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]benzamide Openeye Name: 2-methylsulfonyl-N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]benzamide CAS Name: 2-methylsulfonyl-N-[(2S)-2-(4-morpholin-4-iumyl)-2-thiophen-2-ylethyl]benzamide IUPAC Name: 2-methylsulfonyl-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]benzamide Traditional Name: 2-mesyl-N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]benzamide Formula: C18H23N2O4S2+ MolecularWeight: 395.51622

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C(=O)NCC(C2=CC=CS2)[NH+]3CCOCC3

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C(=O)NC[C@@H](C2=CC=CS2)[NH+]3CCOCC3

InChI

InChI=1S/C18H22N2O4S2/c1-26(22,23)17-7-3-2-5-14(17)18(21)19-13-15(16-6-4-12-25-16)20-8-10-24-11-9-20/h2-7,12,15H,8-11,13H2,1H3,(H,19,21)/p+1/t15-/m0/s1