diethyl-[(2S)-3-[(4-methoxyphenyl)-(4-methylphenyl)sulfonyl-amino]-2-oxidanyl-propyl]azanium

Systemtic Name: diethyl-[(2S)-3-[(4-methoxyphenyl)-(4-methylphenyl)sulfonyl-amino]-2-oxidanyl-propyl]azanium Openeye Name: diethyl-[(2S)-2-hydroxy-3-[4-methoxy-N-(p-tolylsulfonyl)anilino]propyl]ammonium CAS Name: diethyl-[(2S)-2-hydroxy-3-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)propyl]ammonium IUPAC Name: diethyl-[(2S)-2-hydroxy-3-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)propyl]azanium Traditional Name: diethyl-[(2S)-2-hydroxy-3-(4-methoxy-N-tosyl-anilino)propyl]ammonium Formula: C21H31N2O4S+ MolecularWeight: 407.54684

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC(CN(C1=CC=C(C=C1)OC)S(=O)(=O)C2=CC=C(C=C2)C)O

Isomeric SMILES

CC[NH+](CC)C[C@@H](CN(C1=CC=C(C=C1)OC)S(=O)(=O)C2=CC=C(C=C2)C)O

InChI

InChI=1S/C21H30N2O4S/c1-5-22(6-2)15-19(24)16-23(18-9-11-20(27-4)12-10-18)28(25,26)21-13-7-17(3)8-14-21/h7-14,19,24H,5-6,15-16H2,1-4H3/p+1/t19-/m0/s1