4-(dimethylsulfamoyl)-N-[[(2S)-4-(phenylmethyl)morpholin-4-ium-2-yl]methyl]benzamide

Systemtic Name: 4-(dimethylsulfamoyl)-N-[[(2S)-4-(phenylmethyl)morpholin-4-ium-2-yl]methyl]benzamide Openeye Name: N-[[(2S)-4-benzylmorpholin-4-ium-2-yl]methyl]-4-(dimethylsulfamoyl)benzamide CAS Name: 4-(dimethylsulfamoyl)-N-[[(2S)-4-(phenylmethyl)-2-morpholin-4-iumyl]methyl]benzamide IUPAC Name: N-[[(2S)-4-benzylmorpholin-4-ium-2-yl]methyl]-4-(dimethylsulfamoyl)benzamide Traditional Name: N-[[(2S)-4-benzylmorpholin-4-ium-2-yl]methyl]-4-(dimethylsulfamoyl)benzamide Formula: C21H28N3O4S+ MolecularWeight: 418.52972

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NCC2C[NH+](CCO2)CC3=CC=CC=C3

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC[C@H]2C[NH+](CCO2)CC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O4S/c1-23(2)29(26,27)20-10-8-18(9-11-20)21(25)22-14-19-16-24(12-13-28-19)15-17-6-4-3-5-7-17/h3-11,19H,12-16H2,1-2H3,(H,22,25)/p+1/t19-/m0/s1