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

Systemtic Name: methyl 4-[3-(2-azanylpropanoylamino)phenyl]sulfonylbenzoate Openeye Name: methyl 4-[3-(2-aminopropanoylamino)phenyl]sulfonylbenzoate CAS Name: 4-[3-[(2-amino-1-oxopropyl)amino]phenyl]sulfonylbenzoic acid methyl ester IUPAC Name: methyl 4-[3-(2-aminopropanoylamino)phenyl]sulfonylbenzoate Traditional Name: 4-[3-(alanylamino)phenyl]sulfonylbenzoic acid methyl ester Formula: C17H18N2O5S MolecularWeight: 362.40022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O5S/c1-11(18)16(20)19-13-4-3-5-15(10-13)25(22,23)14-8-6-12(7-9-14)17(21)24-2/h3-11H,18H2,1-2H3,(H,19,20)