2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-(thiophen-2-ylcarbonylamino)benzoic acid

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-(thiophen-2-ylcarbonylamino)benzoic acid Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-(thiophene-2-carbonylamino)benzoic acid CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-5-[[oxo(thiophen-2-yl)methyl]amino]benzoic acid IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-(thiophene-2-carbonylamino)benzoic acid Traditional Name: 2-(4-piperonylpiperazino)-5-(2-thenoylamino)benzoic acid Formula: C24H23N3O5S MolecularWeight: 465.52152

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C=C(C=C4)NC(=O)C5=CC=CS5)C(=O)O

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C=C(C=C4)NC(=O)C5=CC=CS5)C(=O)O

InChI

InChI=1S/C24H23N3O5S/c28-23(22-2-1-11-33-22)25-17-4-5-19(18(13-17)24(29)30)27-9-7-26(8-10-27)14-16-3-6-20-21(12-16)32-15-31-20/h1-6,11-13H,7-10,14-15H2,(H,25,28)(H,29,30)