N-[2-[4-(3-chloranylthiophen-2-yl)carbonylpiperazin-1-yl]pyridin-3-yl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[2-[4-(3-chloranylthiophen-2-yl)carbonylpiperazin-1-yl]pyridin-3-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-[4-(3-chlorothiophene-2-carbonyl)piperazin-1-yl]-3-pyridyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-[4-[(3-chloro-2-thiophenyl)-oxomethyl]-1-piperazinyl]-3-pyridinyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-[4-(3-chlorothiophene-2-carbonyl)piperazin-1-yl]pyridin-3-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-[4-(3-chlorothiophene-2-carbonyl)piperazino]-3-pyridyl]-piperonylamide Formula: C22H19ClN4O4S MolecularWeight: 470.92866

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=CC=N2)NC(=O)C3=CC4=C(C=C3)OCO4)C(=O)C5=C(C=CS5)Cl

Isomeric SMILES

C1CN(CCN1C2=C(C=CC=N2)NC(=O)C3=CC4=C(C=C3)OCO4)C(=O)C5=C(C=CS5)Cl

InChI

InChI=1S/C22H19ClN4O4S/c23-15-5-11-32-19(15)22(29)27-9-7-26(8-10-27)20-16(2-1-6-24-20)25-21(28)14-3-4-17-18(12-14)31-13-30-17/h1-6,11-12H,7-10,13H2,(H,25,28)