[(2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butyl]-[2-[(4-methylphenyl)sulfonylamino]ethyl]azanium chloride

Systemtic Name: [(2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butyl]-[2-[(4-methylphenyl)sulfonylamino]ethyl]azanium chloride Openeye Name: [(2S)-3-methyl-2-(p-tolylsulfonylamino)butyl]-[2-(p-tolylsulfonylamino)ethyl]ammonium chloride CAS Name: [(2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butyl]-[2-[(4-methylphenyl)sulfonylamino]ethyl]ammonium chloride IUPAC Name: [(2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butyl]-[2-[(4-methylphenyl)sulfonylamino]ethyl]azanium chloride Traditional Name: [(2S)-3-methyl-2-(tosylamino)butyl]-[2-(tosylamino)ethyl]ammonium chloride Formula: C21H32ClN3O4S2 MolecularWeight: 490.07948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCC[NH2+]CC(C(C)C)NS(=O)(=O)C2=CC=C(C=C2)C.[Cl-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCC[NH2+]C[C@H](C(C)C)NS(=O)(=O)C2=CC=C(C=C2)C.[Cl-]

InChI

InChI=1S/C21H31N3O4S2.ClH/c1-16(2)21(24-30(27,28)20-11-7-18(4)8-12-20)15-22-13-14-23-29(25,26)19-9-5-17(3)6-10-19;/h5-12,16,21-24H,13-15H2,1-4H3;1H/t21-;/m1./s1