2-benzamido-3-phenyl-propanoic acid; 1-oxidanyl-1-(sulfinatoamino)ethane

Systemtic Name: 2-benzamido-3-phenyl-propanoic acid; 1-oxidanyl-1-(sulfinatoamino)ethane Openeye Name: 2-benzamido-3-phenyl-propanoic acid; 1-hydroxy-1-(sulfinatoamino)ethane CAS Name: 2-benzamido-3-phenylpropanoic acid; 1-hydroxy-1-(sulfinatoamino)ethane IUPAC Name: 2-benzamido-3-phenylpropanoic acid; 1-hydroxy-1-(sulfinatoamino)ethane Traditional Name: 2-benzamido-3-phenyl-propionic acid; 1-hydroxy-1-(sulfinatoamino)ethane Formula: C18H21N2O6S- MolecularWeight: 393.43414

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Descriptors Computed from Structure

Canonical SMILES:

CC(NS(=O)[O-])O.C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(NS(=O)[O-])O.C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H15NO3.C2H7NO3S/c18-15(13-9-5-2-6-10-13)17-14(16(19)20)11-12-7-3-1-4-8-12;1-2(4)3-7(5)6/h1-10,14H,11H2,(H,17,18)(H,19,20);2-4H,1H3,(H,5,6)/p-1