2-(3-chloranyl-4-fluoranyl-phenyl)sulfonyl-5-piperazin-1-yl-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-(3-chloranyl-4-fluoranyl-phenyl)sulfonyl-5-piperazin-1-yl-3,4-dihydro-1H-isoquinoline Openeye Name: 2-(3-chloro-4-fluoro-phenyl)sulfonyl-5-piperazin-1-yl-3,4-dihydro-1H-isoquinoline CAS Name: 2-(3-chloro-4-fluorophenyl)sulfonyl-5-(1-piperazinyl)-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-(3-chloro-4-fluorophenyl)sulfonyl-5-piperazin-1-yl-3,4-dihydro-1H-isoquinoline Traditional Name: 2-(3-chloro-4-fluoro-phenyl)sulfonyl-5-piperazino-3,4-dihydro-1H-isoquinoline Formula: C19H21ClFN3O2S MolecularWeight: 409.905343

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C(=CC=C2)N3CCNCC3)S(=O)(=O)C4=CC(=C(C=C4)F)Cl

Isomeric SMILES

C1CN(CC2=C1C(=CC=C2)N3CCNCC3)S(=O)(=O)C4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C19H21ClFN3O2S/c20-17-12-15(4-5-18(17)21)27(25,26)24-9-6-16-14(13-24)2-1-3-19(16)23-10-7-22-8-11-23/h1-5,12,22H,6-11,13H2