1-[(4-azidoquinolin-7-yl)methyl]-4-[(6-chloranyl-1-benzothiophen-2-yl)sulfonyl]piperazin-2-one

Systemtic Name: 1-[(4-azidoquinolin-7-yl)methyl]-4-[(6-chloranyl-1-benzothiophen-2-yl)sulfonyl]piperazin-2-one Openeye Name: 1-[(4-azido-7-quinolyl)methyl]-4-(6-chlorobenzothiophen-2-yl)sulfonyl-piperazin-2-one CAS Name: 1-[(4-azido-7-quinolinyl)methyl]-4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]-2-piperazinone IUPAC Name: 1-[(4-azidoquinolin-7-yl)methyl]-4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]piperazin-2-one Traditional Name: 1-[(4-azido-7-quinolyl)methyl]-4-(6-chlorobenzothiophen-2-yl)sulfonyl-piperazin-2-one Formula: C22H17ClN6O3S2 MolecularWeight: 512.99178

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)CN1S(=O)(=O)C2=CC3=C(S2)C=C(C=C3)Cl)CC4=CC5=NC=CC(=C5C=C4)N=[N+]=[N-]

Isomeric SMILES

C1CN(C(=O)CN1S(=O)(=O)C2=CC3=C(S2)C=C(C=C3)Cl)CC4=CC5=NC=CC(=C5C=C4)N=[N+]=[N-]

InChI

InChI=1S/C22H17ClN6O3S2/c23-16-3-2-15-10-22(33-20(15)11-16)34(31,32)29-8-7-28(21(30)13-29)12-14-1-4-17-18(26-27-24)5-6-25-19(17)9-14/h1-6,9-11H,7-8,12-13H2