3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]carbonyl-7-methoxy-1H-quinolin-4-one

Systemtic Name: 3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]carbonyl-7-methoxy-1H-quinolin-4-one Openeye Name: 3-[4-(2-chlorophenyl)sulfonylpiperazine-1-carbonyl]-7-methoxy-1H-quinolin-4-one CAS Name: 3-[[4-(2-chlorophenyl)sulfonyl-1-piperazinyl]-oxomethyl]-7-methoxy-1H-quinolin-4-one IUPAC Name: 3-[4-(2-chlorophenyl)sulfonylpiperazine-1-carbonyl]-7-methoxy-1H-quinolin-4-one Traditional Name: 3-[4-(2-chlorophenyl)sulfonylpiperazine-1-carbonyl]-7-methoxy-4-quinolone Formula: C21H20ClN3O5S MolecularWeight: 461.9186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=O)C(=CN2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4Cl

Isomeric SMILES

COC1=CC2=C(C=C1)C(=O)C(=CN2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C21H20ClN3O5S/c1-30-14-6-7-15-18(12-14)23-13-16(20(15)26)21(27)24-8-10-25(11-9-24)31(28,29)19-5-3-2-4-17(19)22/h2-7,12-13H,8-11H2,1H3,(H,23,26)