1-[(2-azanylquinolin-6-yl)methyl]-4-(6-chloranylthieno[2,3-b]pyridin-2-yl)sulfonyl-piperazin-2-one

Systemtic Name: 1-[(2-azanylquinolin-6-yl)methyl]-4-(6-chloranylthieno[2,3-b]pyridin-2-yl)sulfonyl-piperazin-2-one Openeye Name: 1-[(2-amino-6-quinolyl)methyl]-4-(6-chlorothieno[2,3-b]pyridin-2-yl)sulfonyl-piperazin-2-one CAS Name: 1-[(2-amino-6-quinolinyl)methyl]-4-[(6-chloro-2-thieno[2,3-b]pyridinyl)sulfonyl]-2-piperazinone IUPAC Name: 1-[(2-aminoquinolin-6-yl)methyl]-4-(6-chlorothieno[2,3-b]pyridin-2-yl)sulfonylpiperazin-2-one Traditional Name: 1-[(2-amino-6-quinolyl)methyl]-4-(6-chlorothieno[2,3-b]pyridin-2-yl)sulfonyl-piperazin-2-one Formula: C21H18ClN5O3S2 MolecularWeight: 487.98232

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)CN1S(=O)(=O)C2=CC3=C(S2)N=C(C=C3)Cl)CC4=CC5=C(C=C4)N=C(C=C5)N

Isomeric SMILES

C1CN(C(=O)CN1S(=O)(=O)C2=CC3=C(S2)N=C(C=C3)Cl)CC4=CC5=C(C=C4)N=C(C=C5)N

InChI

InChI=1S/C21H18ClN5O3S2/c22-17-5-2-15-10-20(31-21(15)25-17)32(29,30)27-8-7-26(19(28)12-27)11-13-1-4-16-14(9-13)3-6-18(23)24-16/h1-6,9-10H,7-8,11-12H2,(H2,23,24)