7-methoxy-3-[4-(phenylsulfonyl)piperazin-1-yl]carbonyl-1H-quinolin-4-one

Systemtic Name: 7-methoxy-3-[4-(phenylsulfonyl)piperazin-1-yl]carbonyl-1H-quinolin-4-one Openeye Name: 3-[4-(benzenesulfonyl)piperazine-1-carbonyl]-7-methoxy-1H-quinolin-4-one CAS Name: 3-[[4-(benzenesulfonyl)-1-piperazinyl]-oxomethyl]-7-methoxy-1H-quinolin-4-one IUPAC Name: 3-[4-(benzenesulfonyl)piperazine-1-carbonyl]-7-methoxy-1H-quinolin-4-one Traditional Name: 3-(4-besylpiperazine-1-carbonyl)-7-methoxy-4-quinolone Formula: C21H21N3O5S MolecularWeight: 427.47354

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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=C4

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O5S/c1-29-15-7-8-17-19(13-15)22-14-18(20(17)25)21(26)23-9-11-24(12-10-23)30(27,28)16-5-3-2-4-6-16/h2-8,13-14H,9-12H2,1H3,(H,22,25)