2-azanyl-3-[2-(4-methylphenyl)sulfonylphenyl]propanoic acid; 2-chloranylethanal

Systemtic Name: 2-azanyl-3-[2-(4-methylphenyl)sulfonylphenyl]propanoic acid; 2-chloranylethanal Openeye Name: 2-amino-3-[2-(p-tolylsulfonyl)phenyl]propanoic acid; 2-chloroacetaldehyde CAS Name: 2-amino-3-[2-(4-methylphenyl)sulfonylphenyl]propanoic acid; 2-chloroacetaldehyde IUPAC Name: 2-amino-3-[2-(4-methylphenyl)sulfonylphenyl]propanoic acid; 2-chloroacetaldehyde Traditional Name: 2-amino-3-(2-tosylphenyl)propionic acid; 2-chloroacetaldehyde Formula: C18H20ClNO5S MolecularWeight: 397.8731

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2CC(C(=O)O)N.C(C=O)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2CC(C(=O)O)N.C(C=O)Cl

InChI

InChI=1S/C16H17NO4S.C2H3ClO/c1-11-6-8-13(9-7-11)22(20,21)15-5-3-2-4-12(15)10-14(17)16(18)19;3-1-2-4/h2-9,14H,10,17H2,1H3,(H,18,19);2H,1H2