2,6-bis(azanyl)-2-(4-methylphenyl)sulfonyl-hexanoic acid; 2-chloranylethanal; hydrochloride

Systemtic Name: 2,6-bis(azanyl)-2-(4-methylphenyl)sulfonyl-hexanoic acid; 2-chloranylethanal; hydrochloride Openeye Name: 2-chloroacetaldehyde; 2,6-diamino-2-(p-tolylsulfonyl)hexanoic acid; hydrochloride CAS Name: 2-chloroacetaldehyde; 2,6-diamino-2-(4-methylphenyl)sulfonylhexanoic acid; hydrochloride IUPAC Name: 2-chloroacetaldehyde; 2,6-diamino-2-(4-methylphenyl)sulfonylhexanoic acid; hydrochloride Traditional Name: 2-chloroacetaldehyde; 2,6-diamino-2-tosyl-hexanoic acid; hydrochloride Formula: C15H24Cl2N2O5S MolecularWeight: 415.33246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CCCCN)(C(=O)O)N.C(C=O)Cl.Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(CCCCN)(C(=O)O)N.C(C=O)Cl.Cl

InChI

InChI=1S/C13H20N2O4S.C2H3ClO.ClH/c1-10-4-6-11(7-5-10)20(18,19)13(15,12(16)17)8-2-3-9-14;3-1-2-4;/h4-7H,2-3,8-9,14-15H2,1H3,(H,16,17);2H,1H2;1H