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

Systemtic Name: 3-methylsulfonyl-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]benzamide Openeye Name: 3-methylsulfonyl-N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]benzamide CAS Name: 3-methylsulfonyl-N-[(2S)-2-(4-morpholin-4-iumyl)-2-thiophen-2-ylethyl]benzamide IUPAC Name: 3-methylsulfonyl-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]benzamide Traditional Name: 3-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(=C1)C(=O)NCC(C2=CC=CS2)[NH+]3CCOCC3

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O4S2/c1-26(22,23)15-5-2-4-14(12-15)18(21)19-13-16(17-6-3-11-25-17)20-7-9-24-10-8-20/h2-6,11-12,16H,7-10,13H2,1H3,(H,19,21)/p+1/t16-/m0/s1