(4-fluoranyl-3-methyl-1-benzothiophen-2-yl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone

Systemtic Name: (4-fluoranyl-3-methyl-1-benzothiophen-2-yl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Openeye Name: (4-fluoro-3-methyl-benzothiophen-2-yl)-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methanone CAS Name: (4-fluoro-3-methyl-1-benzothiophen-2-yl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone IUPAC Name: (4-fluoro-3-methyl-1-benzothiophen-2-yl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Traditional Name: (4-fluoro-3-methyl-benzothiophen-2-yl)-(4-tosyl-1,4-diazepan-1-yl)methanone Formula: C22H23FN2O3S2 MolecularWeight: 446.558023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=C(C4=C(C=CC=C4S3)F)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=C(C4=C(C=CC=C4S3)F)C

InChI

InChI=1S/C22H23FN2O3S2/c1-15-7-9-17(10-8-15)30(27,28)25-12-4-11-24(13-14-25)22(26)21-16(2)20-18(23)5-3-6-19(20)29-21/h3,5-10H,4,11-14H2,1-2H3