N-(2-chloranyl-3-fluoranyl-4-methyl-phenyl)-4-methoxy-3-piperazin-1-yl-benzenesulfonamide

Systemtic Name: N-(2-chloranyl-3-fluoranyl-4-methyl-phenyl)-4-methoxy-3-piperazin-1-yl-benzenesulfonamide Openeye Name: N-(2-chloro-3-fluoro-4-methyl-phenyl)-4-methoxy-3-piperazin-1-yl-benzenesulfonamide CAS Name: N-(2-chloro-3-fluoro-4-methylphenyl)-4-methoxy-3-(1-piperazinyl)benzenesulfonamide IUPAC Name: N-(2-chloro-3-fluoro-4-methylphenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide Traditional Name: N-(2-chloro-3-fluoro-4-methyl-phenyl)-4-methoxy-3-piperazino-benzenesulfonamide Formula: C18H21ClFN3O3S MolecularWeight: 413.894043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)OC)N3CCNCC3)Cl)F

Isomeric SMILES

CC1=C(C(=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)OC)N3CCNCC3)Cl)F

InChI

InChI=1S/C18H21ClFN3O3S/c1-12-3-5-14(17(19)18(12)20)22-27(24,25)13-4-6-16(26-2)15(11-13)23-9-7-21-8-10-23/h3-6,11,21-22H,7-10H2,1-2H3