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

Systemtic Name: methyl 4-[3-(2-azanylpropanoylamino)phenyl]sulfinylbenzoate Openeye Name: methyl 4-[3-(2-aminopropanoylamino)phenyl]sulfinylbenzoate CAS Name: 4-[3-[(2-amino-1-oxopropyl)amino]phenyl]sulfinylbenzoic acid methyl ester IUPAC Name: methyl 4-[3-(2-aminopropanoylamino)phenyl]sulfinylbenzoate Traditional Name: 4-[3-(alanylamino)phenyl]sulfinylbenzoic acid methyl ester Formula: C17H18N2O4S MolecularWeight: 346.40082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)S(=O)C2=CC=C(C=C2)C(=O)OC)N

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)S(=O)C2=CC=C(C=C2)C(=O)OC)N

InChI

InChI=1S/C17H18N2O4S/c1-11(18)16(20)19-13-4-3-5-15(10-13)24(22)14-8-6-12(7-9-14)17(21)23-2/h3-11H,18H2,1-2H3,(H,19,20)