(2-methylquinolin-4-yl)-[4-(phenylsulfonyl)piperazin-1-yl]methanone

Systemtic Name: (2-methylquinolin-4-yl)-[4-(phenylsulfonyl)piperazin-1-yl]methanone Openeye Name: [4-(benzenesulfonyl)piperazin-1-yl]-(2-methyl-4-quinolyl)methanone CAS Name: [4-(benzenesulfonyl)-1-piperazinyl]-(2-methyl-4-quinolinyl)methanone IUPAC Name: [4-(benzenesulfonyl)piperazin-1-yl]-(2-methylquinolin-4-yl)methanone Traditional Name: (4-besylpiperazino)-(2-methyl-4-quinolyl)methanone Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H21N3O3S/c1-16-15-19(18-9-5-6-10-20(18)22-16)21(25)23-11-13-24(14-12-23)28(26,27)17-7-3-2-4-8-17/h2-10,15H,11-14H2,1H3