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

Systemtic Name: 1-[(2-azanylquinoxalin-6-yl)methyl]-4-[(6-chloranyl-1-benzothiophen-2-yl)sulfonyl]piperazin-2-one Openeye Name: 1-[(2-aminoquinoxalin-6-yl)methyl]-4-(6-chlorobenzothiophen-2-yl)sulfonyl-piperazin-2-one CAS Name: 1-[(2-amino-6-quinoxalinyl)methyl]-4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]-2-piperazinone IUPAC Name: 1-[(2-aminoquinoxalin-6-yl)methyl]-4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]piperazin-2-one Traditional Name: 1-[(2-aminoquinoxalin-6-yl)methyl]-4-(6-chlorobenzothiophen-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)C=C(C=C3)Cl)CC4=CC5=NC=C(N=C5C=C4)N

Isomeric SMILES

C1CN(C(=O)CN1S(=O)(=O)C2=CC3=C(S2)C=C(C=C3)Cl)CC4=CC5=NC=C(N=C5C=C4)N

InChI

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