3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-1-(4-fluorophenyl)carbonyl-azepan-2-one

Systemtic Name: 3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-1-(4-fluorophenyl)carbonyl-azepan-2-one Openeye Name: 3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-1-(4-fluorobenzoyl)azepan-2-one CAS Name: 3-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-1-[(4-fluorophenyl)-oxomethyl]-2-azepanone IUPAC Name: 3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-1-(4-fluorobenzoyl)azepan-2-one Traditional Name: 3-[4-(2,5-dimethylphenyl)sulfonylpiperazino]-1-(4-fluorobenzoyl)azepan-2-one Formula: C25H30FN3O4S MolecularWeight: 487.586803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C3CCCCN(C3=O)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C3CCCCN(C3=O)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H30FN3O4S/c1-18-6-7-19(2)23(17-18)34(32,33)28-15-13-27(14-16-28)22-5-3-4-12-29(25(22)31)24(30)20-8-10-21(26)11-9-20/h6-11,17,22H,3-5,12-16H2,1-2H3