methyl 4-[3-(2-azanylethanoylamino)phenyl]sulfinylbenzoate

Systemtic Name: methyl 4-[3-(2-azanylethanoylamino)phenyl]sulfinylbenzoate Openeye Name: methyl 4-[3-[(2-aminoacetyl)amino]phenyl]sulfinylbenzoate CAS Name: 4-[3-[(2-amino-1-oxoethyl)amino]phenyl]sulfinylbenzoic acid methyl ester IUPAC Name: methyl 4-[3-[(2-aminoacetyl)amino]phenyl]sulfinylbenzoate Traditional Name: 4-[3-(glycylamino)phenyl]sulfinylbenzoic acid methyl ester Formula: C16H16N2O4S MolecularWeight: 332.37424

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)S(=O)C2=CC=CC(=C2)NC(=O)CN

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)S(=O)C2=CC=CC(=C2)NC(=O)CN

InChI

InChI=1S/C16H16N2O4S/c1-22-16(20)11-5-7-13(8-6-11)23(21)14-4-2-3-12(9-14)18-15(19)10-17/h2-9H,10,17H2,1H3,(H,18,19)