1-[(4-azanylquinolin-7-yl)methyl]-4-[(6-chloranyl-1-benzothiophen-2-yl)sulfonyl]-3-methyl-piperazin-2-one

Systemtic Name: 1-[(4-azanylquinolin-7-yl)methyl]-4-[(6-chloranyl-1-benzothiophen-2-yl)sulfonyl]-3-methyl-piperazin-2-one Openeye Name: 1-[(4-amino-7-quinolyl)methyl]-4-(6-chlorobenzothiophen-2-yl)sulfonyl-3-methyl-piperazin-2-one CAS Name: 1-[(4-amino-7-quinolinyl)methyl]-4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]-3-methyl-2-piperazinone IUPAC Name: 1-[(4-aminoquinolin-7-yl)methyl]-4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]-3-methylpiperazin-2-one Traditional Name: 1-[(4-amino-7-quinolyl)methyl]-4-(6-chlorobenzothiophen-2-yl)sulfonyl-3-methyl-piperazin-2-one Formula: C23H21ClN4O3S2 MolecularWeight: 501.02084

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(CCN1S(=O)(=O)C2=CC3=C(S2)C=C(C=C3)Cl)CC4=CC5=NC=CC(=C5C=C4)N

Isomeric SMILES

CC1C(=O)N(CCN1S(=O)(=O)C2=CC3=C(S2)C=C(C=C3)Cl)CC4=CC5=NC=CC(=C5C=C4)N

InChI

InChI=1S/C23H21ClN4O3S2/c1-14-23(29)27(13-15-2-5-18-19(25)6-7-26-20(18)10-15)8-9-28(14)33(30,31)22-11-16-3-4-17(24)12-21(16)32-22/h2-7,10-12,14H,8-9,13H2,1H3,(H2,25,26)