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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28FN3O4S/c1-19-15-21(27)8-10-26(19)35(31,32)28-17-23(20-7-9-24-25(16-20)34-18-33-24)30-13-11-29(12-14-30)22-5-3-2-4-6-22/h2-10,15-16,23,28H,11-14,17-18H2,1H3/t23-/m0/s1