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

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-4-methoxy-3-piperazin-1-yl-benzenesulfonamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-4-methoxy-3-piperazin-1-yl-benzenesulfonamide CAS Name: N-(2-bromo-4-methylphenyl)-4-methoxy-3-(1-piperazinyl)benzenesulfonamide IUPAC Name: N-(2-bromo-4-methylphenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-4-methoxy-3-piperazino-benzenesulfonamide Formula: C18H22BrN3O3S MolecularWeight: 440.35458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22BrN3O3S/c1-13-3-5-16(15(19)11-13)21-26(23,24)14-4-6-18(25-2)17(12-14)22-9-7-20-8-10-22/h3-6,11-12,20-21H,7-10H2,1-2H3