[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone

Systemtic Name: [4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone Openeye Name: [4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-(3-methylbenzofuran-2-yl)methanone CAS Name: [4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-(3-methyl-2-benzofuranyl)methanone IUPAC Name: [4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone Traditional Name: [4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-(3-methylbenzofuran-2-yl)methanone Formula: C21H21FN2O4S MolecularWeight: 416.465843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)N3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)N3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H21FN2O4S/c1-15-18-5-2-3-6-19(18)28-20(15)21(25)23-11-4-12-24(14-13-23)29(26,27)17-9-7-16(22)8-10-17/h2-3,5-10H,4,11-14H2,1H3