N-butyl-5-fluoranyl-3-methyl-N-(4-piperazin-1-ylphenyl)-1-benzothiophene-2-sulfonamide

Systemtic Name: N-butyl-5-fluoranyl-3-methyl-N-(4-piperazin-1-ylphenyl)-1-benzothiophene-2-sulfonamide Openeye Name: N-butyl-5-fluoro-3-methyl-N-(4-piperazin-1-ylphenyl)benzothiophene-2-sulfonamide CAS Name: N-butyl-5-fluoro-3-methyl-N-[4-(1-piperazinyl)phenyl]-1-benzothiophene-2-sulfonamide IUPAC Name: N-butyl-5-fluoro-3-methyl-N-(4-piperazin-1-ylphenyl)-1-benzothiophene-2-sulfonamide Traditional Name: N-butyl-5-fluoro-3-methyl-N-(4-piperazinophenyl)benzothiophene-2-sulfonamide Formula: C23H28FN3O2S2 MolecularWeight: 461.615723

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=CC=C(C=C1)N2CCNCC2)S(=O)(=O)C3=C(C4=C(S3)C=CC(=C4)F)C

Isomeric SMILES

CCCCN(C1=CC=C(C=C1)N2CCNCC2)S(=O)(=O)C3=C(C4=C(S3)C=CC(=C4)F)C

InChI

InChI=1S/C23H28FN3O2S2/c1-3-4-13-27(20-8-6-19(7-9-20)26-14-11-25-12-15-26)31(28,29)23-17(2)21-16-18(24)5-10-22(21)30-23/h5-10,16,25H,3-4,11-15H2,1-2H3