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

Systemtic Name: 2,6-bis(azanyl)-2-(4-methylphenyl)sulfonyl-hexanoic acid; 2-chloranylethanal Openeye Name: 2-chloroacetaldehyde; 2,6-diamino-2-(p-tolylsulfonyl)hexanoic acid CAS Name: 2-chloroacetaldehyde; 2,6-diamino-2-(4-methylphenyl)sulfonylhexanoic acid IUPAC Name: 2-chloroacetaldehyde; 2,6-diamino-2-(4-methylphenyl)sulfonylhexanoic acid Traditional Name: 2-chloroacetaldehyde; 2,6-diamino-2-tosyl-hexanoic acid Formula: C15H23ClN2O5S MolecularWeight: 378.87152

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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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O4S.C2H3ClO/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