(phenylmethyl) 2-(methylamino)ethanoate; 2-[(phenylmethyl)sulfonylamino]-3-pyridin-3-yl-propanoic acid

Systemtic Name: (phenylmethyl) 2-(methylamino)ethanoate; 2-[(phenylmethyl)sulfonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: benzyl 2-(methylamino)acetate; 2-(benzylsulfonylamino)-3-(3-pyridyl)propanoic acid CAS Name: 2-(methylamino)acetic acid (phenylmethyl) ester; 2-[(phenylmethyl)sulfonylamino]-3-(3-pyridinyl)propanoic acid IUPAC Name: benzyl 2-(methylamino)acetate; 2-(benzylsulfonylamino)-3-pyridin-3-ylpropanoic acid Traditional Name: 2-(benzylsulfonylamino)-3-(3-pyridyl)propionic acid; 2-(methylamino)acetic acid benzyl ester Formula: C25H29N3O6S MolecularWeight: 499.57926

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Descriptors Computed from Structure

Canonical SMILES:

CNCC(=O)OCC1=CC=CC=C1.C1=CC=C(C=C1)CS(=O)(=O)NC(CC2=CN=CC=C2)C(=O)O

Isomeric SMILES

CNCC(=O)OCC1=CC=CC=C1.C1=CC=C(C=C1)CS(=O)(=O)NC(CC2=CN=CC=C2)C(=O)O

InChI

InChI=1S/C15H16N2O4S.C10H13NO2/c18-15(19)14(9-13-7-4-8-16-10-13)17-22(20,21)11-12-5-2-1-3-6-12;1-11-7-10(12)13-8-9-5-3-2-4-6-9/h1-8,10,14,17H,9,11H2,(H,18,19);2-6,11H,7-8H2,1H3