2-chloranylethanal; 2-[(4-methylphenyl)sulfonylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-chloranylethanal; 2-[(4-methylphenyl)sulfonylamino]-3-phenyl-propanoic acid Openeye Name: 2-chloroacetaldehyde; 3-phenyl-2-(p-tolylsulfonylamino)propanoic acid CAS Name: 2-chloroacetaldehyde; 2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoic acid IUPAC Name: 2-chloroacetaldehyde; 2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoic acid Traditional Name: 2-chloroacetaldehyde; 3-phenyl-2-(tosylamino)propionic acid Formula: C18H20ClNO5S MolecularWeight: 397.8731

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)O.C(C=O)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)O.C(C=O)Cl

InChI

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