N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-sulfamoylphenyl)methylamino]propanamide; ethanedioic acid

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-sulfamoylphenyl)methylamino]propanamide; ethanedioic acid Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-sulfamoylphenyl)methylamino]propanamide; oxalic acid CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-sulfamoylphenyl)methylamino]propanamide; oxalic acid IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-sulfamoylphenyl)methylamino]propanamide; oxalic acid Traditional Name: oxalic acid; N-piperonyl-2-[(4-sulfamoylbenzyl)amino]propionamide Formula: C20H23N3O9S MolecularWeight: 481.47632

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)NCC3=CC=C(C=C3)S(=O)(=O)N.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)NCC3=CC=C(C=C3)S(=O)(=O)N.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H21N3O5S.C2H2O4/c1-12(20-9-13-2-5-15(6-3-13)27(19,23)24)18(22)21-10-14-4-7-16-17(8-14)26-11-25-16;3-1(4)2(5)6/h2-8,12,20H,9-11H2,1H3,(H,21,22)(H2,19,23,24);(H,3,4)(H,5,6)