(3,4,5-trimethoxyphenyl) 3-(2-azanylpropanoylamino)-4-methoxy-benzenesulfonate

Systemtic Name: (3,4,5-trimethoxyphenyl) 3-(2-azanylpropanoylamino)-4-methoxy-benzenesulfonate Openeye Name: (3,4,5-trimethoxyphenyl) 3-(2-aminopropanoylamino)-4-methoxy-benzenesulfonate CAS Name: 3-[(2-amino-1-oxopropyl)amino]-4-methoxybenzenesulfonic acid (3,4,5-trimethoxyphenyl) ester IUPAC Name: (3,4,5-trimethoxyphenyl) 3-(2-aminopropanoylamino)-4-methoxybenzenesulfonate Traditional Name: 3-(alanylamino)-4-methoxy-benzenesulfonic acid (3,4,5-trimethoxyphenyl) ester Formula: C19H24N2O8S MolecularWeight: 440.46746

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)S(=O)(=O)OC2=CC(=C(C(=C2)OC)OC)OC)OC)N

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)S(=O)(=O)OC2=CC(=C(C(=C2)OC)OC)OC)OC)N

InChI

InChI=1S/C19H24N2O8S/c1-11(20)19(22)21-14-10-13(6-7-15(14)25-2)30(23,24)29-12-8-16(26-3)18(28-5)17(9-12)27-4/h6-11H,20H2,1-5H3,(H,21,22)