N-[(2S)-butan-2-yl]-4-[4-(4-fluorophenyl)piperazin-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: N-[(2S)-butan-2-yl]-4-[4-(4-fluorophenyl)piperazin-1-yl]carbonyl-benzenesulfonamide Openeye Name: 4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-[(1S)-1-methylpropyl]benzenesulfonamide CAS Name: N-[(2S)-butan-2-yl]-4-[[4-(4-fluorophenyl)-1-piperazinyl]-oxomethyl]benzenesulfonamide IUPAC Name: N-[(2S)-butan-2-yl]-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]benzenesulfonamide Traditional Name: 4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-[(1S)-1-methylpropyl]benzenesulfonamide Formula: C21H26FN3O3S MolecularWeight: 419.512843

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NS(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)F

Isomeric SMILES

CC[C@H](C)NS(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H26FN3O3S/c1-3-16(2)23-29(27,28)20-10-4-17(5-11-20)21(26)25-14-12-24(13-15-25)19-8-6-18(22)7-9-19/h4-11,16,23H,3,12-15H2,1-2H3/t16-/m0/s1