3-chloranyl-4-methyl-2-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]quinoline

Systemtic Name: 3-chloranyl-4-methyl-2-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]quinoline Openeye Name: 2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-3-chloro-4-methyl-quinoline CAS Name: 2-[[4-(benzenesulfonyl)-1-piperazinyl]methyl]-3-chloro-4-methylquinoline IUPAC Name: 2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-3-chloro-4-methylquinoline Traditional Name: 2-[(4-besylpiperazino)methyl]-3-chloro-4-methyl-quinoline Formula: C21H22ClN3O2S MolecularWeight: 415.93628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)Cl

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)Cl

InChI

InChI=1S/C21H22ClN3O2S/c1-16-18-9-5-6-10-19(18)23-20(21(16)22)15-24-11-13-25(14-12-24)28(26,27)17-7-3-2-4-8-17/h2-10H,11-15H2,1H3