N-[(2S)-1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[(2S)-1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]-4-methyl-benzenesulfonamide Openeye Name: N-[(1S)-1-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]-2-methyl-propyl]-4-methyl-benzenesulfonamide CAS Name: N-[(2S)-1-[4-[(2-fluorophenyl)methyl]-1-piperazinyl]-3-methyl-1-oxobutan-2-yl]-4-methylbenzenesulfonamide IUPAC Name: N-[(2S)-1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-methylbenzenesulfonamide Traditional Name: N-[(1S)-1-[4-(2-fluorobenzyl)piperazine-1-carbonyl]-2-methyl-propyl]-4-methyl-benzenesulfonamide Formula: C23H30FN3O3S MolecularWeight: 447.566003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C(C)C)C(=O)N2CCN(CC2)CC3=CC=CC=C3F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C(C)C)C(=O)N2CCN(CC2)CC3=CC=CC=C3F

InChI

InChI=1S/C23H30FN3O3S/c1-17(2)22(25-31(29,30)20-10-8-18(3)9-11-20)23(28)27-14-12-26(13-15-27)16-19-6-4-5-7-21(19)24/h4-11,17,22,25H,12-16H2,1-3H3/t22-/m0/s1