3-[[(2R)-2-[(2,5-dimethylphenyl)-methylsulfonyl-amino]propanoyl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[(2R)-2-[(2,5-dimethylphenyl)-methylsulfonyl-amino]propanoyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[(2R)-2-(2,5-dimethyl-N-methylsulfonyl-anilino)propanoyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[(2R)-2-(2,5-dimethyl-N-methylsulfonylanilino)-1-oxopropyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[(2R)-2-(2,5-dimethyl-N-methylsulfonylanilino)propanoyl]amino]propyl-dimethylazanium Traditional Name: 3-[[(2R)-2-(N-mesyl-2,5-dimethyl-anilino)propanoyl]amino]propyl-dimethyl-ammonium Formula: C17H30N3O3S+ MolecularWeight: 356.5034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N(C(C)C(=O)NCCC[NH+](C)C)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)N([C@H](C)C(=O)NCCC[NH+](C)C)S(=O)(=O)C

InChI

InChI=1S/C17H29N3O3S/c1-13-8-9-14(2)16(12-13)20(24(6,22)23)15(3)17(21)18-10-7-11-19(4)5/h8-9,12,15H,7,10-11H2,1-6H3,(H,18,21)/p+1/t15-/m1/s1