1-(4-ethanoylpiperazin-1-yl)-4-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]butane-1,4-dione

Systemtic Name: 1-(4-ethanoylpiperazin-1-yl)-4-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]butane-1,4-dione Openeye Name: 1-(4-acetylpiperazin-1-yl)-4-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]butane-1,4-dione CAS Name: 1-(4-acetyl-1-piperazinyl)-4-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]butane-1,4-dione IUPAC Name: 1-(4-acetylpiperazin-1-yl)-4-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]butane-1,4-dione Traditional Name: 1-(4-acetylpiperazino)-4-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]butane-1,4-dione Formula: C21H29FN4O5S MolecularWeight: 468.542163

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)CCC(=O)N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)CCC(=O)N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H29FN4O5S/c1-17(27)23-11-13-25(14-12-23)21(29)8-7-20(28)24-9-2-10-26(16-15-24)32(30,31)19-5-3-18(22)4-6-19/h3-6H,2,7-16H2,1H3