(5-fluoranyl-1-benzothiophen-2-yl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone

Systemtic Name: (5-fluoranyl-1-benzothiophen-2-yl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Openeye Name: (5-fluorobenzothiophen-2-yl)-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methanone CAS Name: (5-fluoro-1-benzothiophen-2-yl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone IUPAC Name: (5-fluoro-1-benzothiophen-2-yl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Traditional Name: (5-fluorobenzothiophen-2-yl)-(4-tosyl-1,4-diazepan-1-yl)methanone Formula: C21H21FN2O3S2 MolecularWeight: 432.531443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=CC4=C(S3)C=CC(=C4)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=CC4=C(S3)C=CC(=C4)F

InChI

InChI=1S/C21H21FN2O3S2/c1-15-3-6-18(7-4-15)29(26,27)24-10-2-9-23(11-12-24)21(25)20-14-16-13-17(22)5-8-19(16)28-20/h3-8,13-14H,2,9-12H2,1H3