3-[[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]carbonylamino]propyl-diethyl-azanium

Systemtic Name: 3-[[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]carbonylamino]propyl-diethyl-azanium Openeye Name: 3-[[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]amino]propyl-diethyl-ammonium CAS Name: 3-[[[4-[[(2S,6S)-2,6-dimethyl-4-morpholinyl]sulfonyl]phenyl]-oxomethyl]amino]propyl-diethylammonium IUPAC Name: 3-[[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]amino]propyl-diethylazanium Traditional Name: 3-[[4-[(2S,6S)-2,6-dimethylmorpholino]sulfonylbenzoyl]amino]propyl-diethyl-ammonium Formula: C20H34N3O4S+ MolecularWeight: 412.56666

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCNC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CC(OC(C2)C)C

Isomeric SMILES

CC[NH+](CC)CCCNC(=O)C1=CC=C(C=C1)S(=O)(=O)N2C[C@@H](O[C@H](C2)C)C

InChI

InChI=1S/C20H33N3O4S/c1-5-22(6-2)13-7-12-21-20(24)18-8-10-19(11-9-18)28(25,26)23-14-16(3)27-17(4)15-23/h8-11,16-17H,5-7,12-15H2,1-4H3,(H,21,24)/p+1/t16-,17-/m0/s1