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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)OC2=CC(=C(C(=C2)OC)OC)OC)NC(=O)CCN

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)OC2=CC(=C(C(=C2)OC)OC)OC)NC(=O)CCN

InChI

InChI=1S/C19H24N2O8S/c1-25-15-6-5-13(11-14(15)21-18(22)7-8-20)30(23,24)29-12-9-16(26-2)19(28-4)17(10-12)27-3/h5-6,9-11H,7-8,20H2,1-4H3,(H,21,22)