N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-4-fluoranyl-3-methyl-benzenesulfonamide

Systemtic Name: N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-4-fluoranyl-3-methyl-benzenesulfonamide Openeye Name: N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-4-fluoro-3-methyl-benzenesulfonamide CAS Name: N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(4-phenyl-1-piperazinyl)ethyl]-4-fluoro-3-methylbenzenesulfonamide IUPAC Name: N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-4-fluoro-3-methylbenzenesulfonamide Traditional Name: N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazino)ethyl]-4-fluoro-3-methyl-benzenesulfonamide Formula: C26H28FN3O4S MolecularWeight: 497.581623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)NCC(C2=CC3=C(C=C2)OCO3)N4CCN(CC4)C5=CC=CC=C5)F

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)NC[C@@H](C2=CC3=C(C=C2)OCO3)N4CCN(CC4)C5=CC=CC=C5)F

InChI

InChI=1S/C26H28FN3O4S/c1-19-15-22(8-9-23(19)27)35(31,32)28-17-24(20-7-10-25-26(16-20)34-18-33-25)30-13-11-29(12-14-30)21-5-3-2-4-6-21/h2-10,15-16,24,28H,11-14,17-18H2,1H3/t24-/m0/s1