N-[4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-3-fluoranyl-phenyl]-3-methyl-butanamide

Systemtic Name: N-[4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-3-fluoranyl-phenyl]-3-methyl-butanamide Openeye Name: N-[4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-3-fluoro-phenyl]-3-methyl-butanamide CAS Name: N-[4-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-3-fluorophenyl]-3-methylbutanamide IUPAC Name: N-[4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-3-fluorophenyl]-3-methylbutanamide Traditional Name: N-[4-[4-(4-chlorophenyl)sulfonylpiperazino]-3-fluoro-phenyl]-3-methyl-butyramide Formula: C21H25ClFN3O3S MolecularWeight: 453.957903

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC(=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl)F

Isomeric SMILES

CC(C)CC(=O)NC1=CC(=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl)F

InChI

InChI=1S/C21H25ClFN3O3S/c1-15(2)13-21(27)24-17-5-8-20(19(23)14-17)25-9-11-26(12-10-25)30(28,29)18-6-3-16(22)4-7-18/h3-8,14-15H,9-13H2,1-2H3,(H,24,27)