N-[(4-fluorophenyl)methyl]-4-(2-methylpropyl)-N-(2-oxidanylidene-2-piperazin-1-yl-ethyl)benzenesulfonamide

Systemtic Name: N-[(4-fluorophenyl)methyl]-4-(2-methylpropyl)-N-(2-oxidanylidene-2-piperazin-1-yl-ethyl)benzenesulfonamide Openeye Name: N-[(4-fluorophenyl)methyl]-4-isobutyl-N-(2-oxo-2-piperazin-1-yl-ethyl)benzenesulfonamide CAS Name: N-[(4-fluorophenyl)methyl]-4-(2-methylpropyl)-N-[2-oxo-2-(1-piperazinyl)ethyl]benzenesulfonamide IUPAC Name: N-[(4-fluorophenyl)methyl]-4-(2-methylpropyl)-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide Traditional Name: N-(4-fluorobenzyl)-4-isobutyl-N-(2-keto-2-piperazino-ethyl)benzenesulfonamide Formula: C23H30FN3O3S MolecularWeight: 447.566003

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)F)CC(=O)N3CCNCC3

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)F)CC(=O)N3CCNCC3

InChI

InChI=1S/C23H30FN3O3S/c1-18(2)15-19-5-9-22(10-6-19)31(29,30)27(16-20-3-7-21(24)8-4-20)17-23(28)26-13-11-25-12-14-26/h3-10,18,25H,11-17H2,1-2H3