N-(3-fluorophenyl)-2-[4-(4-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-(3-fluorophenyl)-2-[4-(4-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]ethanamide Openeye Name: N-(3-fluorophenyl)-2-[4-(4-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]acetamide CAS Name: N-(3-fluorophenyl)-2-[4-(4-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]acetamide IUPAC Name: N-(3-fluorophenyl)-2-[4-(4-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]acetamide Traditional Name: N-(3-fluorophenyl)-2-[4-(4-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]acetamide Formula: C20H24FN3O4S MolecularWeight: 421.485663

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC(=O)NC3=CC(=CC=C3)F

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC(=O)NC3=CC(=CC=C3)F

InChI

InChI=1S/C20H24FN3O4S/c1-28-18-6-8-19(9-7-18)29(26,27)24-11-3-10-23(12-13-24)15-20(25)22-17-5-2-4-16(21)14-17/h2,4-9,14H,3,10-13,15H2,1H3,(H,22,25)