1-[(4-azanylquinolin-7-yl)methyl]-4-[(6-chloranyl-1-benzothiophen-2-yl)sulfonyl]-6-oxidanylidene-piperazine-2-carboxylic acid

Systemtic Name: 1-[(4-azanylquinolin-7-yl)methyl]-4-[(6-chloranyl-1-benzothiophen-2-yl)sulfonyl]-6-oxidanylidene-piperazine-2-carboxylic acid Openeye Name: 1-[(4-amino-7-quinolyl)methyl]-4-(6-chlorobenzothiophen-2-yl)sulfonyl-6-oxo-piperazine-2-carboxylic acid CAS Name: 1-[(4-amino-7-quinolinyl)methyl]-4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]-6-oxo-2-piperazinecarboxylic acid IUPAC Name: 1-[(4-aminoquinolin-7-yl)methyl]-4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]-6-oxopiperazine-2-carboxylic acid Traditional Name: 1-[(4-amino-7-quinolyl)methyl]-4-(6-chlorobenzothiophen-2-yl)sulfonyl-6-keto-piperazine-2-carboxylic acid Formula: C23H19ClN4O5S2 MolecularWeight: 531.00376

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C(=O)CN1S(=O)(=O)C2=CC3=C(S2)C=C(C=C3)Cl)CC4=CC5=NC=CC(=C5C=C4)N)C(=O)O

Isomeric SMILES

C1C(N(C(=O)CN1S(=O)(=O)C2=CC3=C(S2)C=C(C=C3)Cl)CC4=CC5=NC=CC(=C5C=C4)N)C(=O)O

InChI

InChI=1S/C23H19ClN4O5S2/c24-15-3-2-14-8-22(34-20(14)9-15)35(32,33)27-11-19(23(30)31)28(21(29)12-27)10-13-1-4-16-17(25)5-6-26-18(16)7-13/h1-9,19H,10-12H2,(H2,25,26)(H,30,31)