[2-[[4-(4-methylsulfonylphenyl)-1,4-diazepan-1-yl]carbonyl]phenyl] ethanoate

Systemtic Name: [2-[[4-(4-methylsulfonylphenyl)-1,4-diazepan-1-yl]carbonyl]phenyl] ethanoate Openeye Name: [2-[4-(4-methylsulfonylphenyl)-1,4-diazepane-1-carbonyl]phenyl] acetate CAS Name: acetic acid [2-[[4-(4-methylsulfonylphenyl)-1,4-diazepan-1-yl]-oxomethyl]phenyl] ester IUPAC Name: [2-[4-(4-methylsulfonylphenyl)-1,4-diazepane-1-carbonyl]phenyl] acetate Traditional Name: acetic acid [2-[4-(4-mesylphenyl)-1,4-diazepane-1-carbonyl]phenyl] ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC=C1C(=O)N2CCCN(CC2)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC(=O)OC1=CC=CC=C1C(=O)N2CCCN(CC2)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C21H24N2O5S/c1-16(24)28-20-7-4-3-6-19(20)21(25)23-13-5-12-22(14-15-23)17-8-10-18(11-9-17)29(2,26)27/h3-4,6-11H,5,12-15H2,1-2H3