2-[4-(4-methylphenyl)sulfonyl-7-oxidanylidene-1,4-diazepan-1-yl]ethyl N-(4-fluorophenyl)carbamate

Systemtic Name: 2-[4-(4-methylphenyl)sulfonyl-7-oxidanylidene-1,4-diazepan-1-yl]ethyl N-(4-fluorophenyl)carbamate Openeye Name: 2-[7-oxo-4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]ethyl N-(4-fluorophenyl)carbamate CAS Name: N-(4-fluorophenyl)carbamic acid 2-[4-(4-methylphenyl)sulfonyl-7-oxo-1,4-diazepan-1-yl]ethyl ester IUPAC Name: 2-[4-(4-methylphenyl)sulfonyl-7-oxo-1,4-diazepan-1-yl]ethyl N-(4-fluorophenyl)carbamate Traditional Name: N-(4-fluorophenyl)carbamic acid 2-(7-keto-4-tosyl-1,4-diazepan-1-yl)ethyl ester Formula: C21H24FN3O5S MolecularWeight: 449.495763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(=O)N(CC2)CCOC(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(=O)N(CC2)CCOC(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C21H24FN3O5S/c1-16-2-8-19(9-3-16)31(28,29)25-11-10-20(26)24(12-13-25)14-15-30-21(27)23-18-6-4-17(22)5-7-18/h2-9H,10-15H2,1H3,(H,23,27)