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

Systemtic Name: 3-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-N-(4-methoxyphenyl)propanamide Openeye Name: 3-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-N-(4-methoxyphenyl)propanamide CAS Name: 3-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-N-(4-methoxyphenyl)propanamide IUPAC Name: 3-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-N-(4-methoxyphenyl)propanamide Traditional Name: 3-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-N-(4-methoxyphenyl)propionamide Formula: C21H26FN3O4S MolecularWeight: 435.512243

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)CCN2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)CCN2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H26FN3O4S/c1-29-19-7-5-18(6-8-19)23-21(26)11-14-24-12-2-13-25(16-15-24)30(27,28)20-9-3-17(22)4-10-20/h3-10H,2,11-16H2,1H3,(H,23,26)