(2S)-2-(4-methylphenyl)-N-[(4-methylphenyl)sulfonylmethyl]-2-morpholin-4-ium-4-yl-ethanamide

Systemtic Name: (2S)-2-(4-methylphenyl)-N-[(4-methylphenyl)sulfonylmethyl]-2-morpholin-4-ium-4-yl-ethanamide Openeye Name: (2S)-2-morpholin-4-ium-4-yl-2-(p-tolyl)-N-(p-tolylsulfonylmethyl)acetamide CAS Name: (2S)-2-(4-methylphenyl)-N-[(4-methylphenyl)sulfonylmethyl]-2-(4-morpholin-4-iumyl)acetamide IUPAC Name: (2S)-2-(4-methylphenyl)-N-[(4-methylphenyl)sulfonylmethyl]-2-morpholin-4-ium-4-ylacetamide Traditional Name: (2S)-2-morpholin-4-ium-4-yl-2-(p-tolyl)-N-(tosylmethyl)acetamide Formula: C21H27N2O4S+ MolecularWeight: 403.51508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C(=O)NCS(=O)(=O)C2=CC=C(C=C2)C)[NH+]3CCOCC3

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H](C(=O)NCS(=O)(=O)C2=CC=C(C=C2)C)[NH+]3CCOCC3

InChI

InChI=1S/C21H26N2O4S/c1-16-3-7-18(8-4-16)20(23-11-13-27-14-12-23)21(24)22-15-28(25,26)19-9-5-17(2)6-10-19/h3-10,20H,11-15H2,1-2H3,(H,22,24)/p+1/t20-/m0/s1