[3-(3-azanylpropanoylamino)-4-methoxy-phenyl] 3,4,5-trimethoxybenzenesulfonate

Systemtic Name: [3-(3-azanylpropanoylamino)-4-methoxy-phenyl] 3,4,5-trimethoxybenzenesulfonate Openeye Name: [3-(3-aminopropanoylamino)-4-methoxy-phenyl] 3,4,5-trimethoxybenzenesulfonate CAS Name: 3,4,5-trimethoxybenzenesulfonic acid [3-[(3-amino-1-oxopropyl)amino]-4-methoxyphenyl] ester IUPAC Name: [3-(3-aminopropanoylamino)-4-methoxyphenyl] 3,4,5-trimethoxybenzenesulfonate Traditional Name: 3,4,5-trimethoxybenzenesulfonic acid [3-(3-aminopropanoylamino)-4-methoxy-phenyl] ester Formula: C19H24N2O8S MolecularWeight: 440.46746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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