[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-[(3S)-1-thiophen-2-ylcarbonylpiperidin-3-yl]methanone

Systemtic Name: [4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-[(3S)-1-thiophen-2-ylcarbonylpiperidin-3-yl]methanone Openeye Name: [4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-[(3S)-1-(thiophene-2-carbonyl)-3-piperidyl]methanone CAS Name: [4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-[(3S)-1-[oxo(thiophen-2-yl)methyl]-3-piperidinyl]methanone IUPAC Name: [4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-[(3S)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone Traditional Name: [4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-[(3S)-1-(2-thenoyl)-3-piperidyl]methanone Formula: C22H26FN3O4S2 MolecularWeight: 479.587943

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC=CS2)C(=O)N3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2=CC=CS2)C(=O)N3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H26FN3O4S2/c23-18-6-8-19(9-7-18)32(29,30)26-12-3-11-24(13-14-26)21(27)17-4-1-10-25(16-17)22(28)20-5-2-15-31-20/h2,5-9,15,17H,1,3-4,10-14,16H2/t17-/m0/s1