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

Systemtic Name: N-[(2S)-butan-2-yl]-4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-benzenesulfonamide Openeye Name: 4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-N-[(1S)-1-methylpropyl]benzenesulfonamide CAS Name: N-[(2S)-butan-2-yl]-4-[[4-(2-fluorophenyl)-1-piperazinyl]sulfonyl]benzenesulfonamide IUPAC Name: N-[(2S)-butan-2-yl]-4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylbenzenesulfonamide Traditional Name: 4-[4-(2-fluorophenyl)piperazino]sulfonyl-N-[(1S)-1-methylpropyl]benzenesulfonamide Formula: C20H26FN3O4S2 MolecularWeight: 455.566543

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3F

Isomeric SMILES

CC[C@H](C)NS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3F

InChI

InChI=1S/C20H26FN3O4S2/c1-3-16(2)22-29(25,26)17-8-10-18(11-9-17)30(27,28)24-14-12-23(13-15-24)20-7-5-4-6-19(20)21/h4-11,16,22H,3,12-15H2,1-2H3/t16-/m0/s1