methyl 3,5-dimethoxy-2-[[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methyl]benzoate

Systemtic Name: methyl 3,5-dimethoxy-2-[[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methyl]benzoate Openeye Name: methyl 3,5-dimethoxy-2-[[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methyl]benzoate CAS Name: 3,5-dimethoxy-2-[[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3,5-dimethoxy-2-[[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methyl]benzoate Traditional Name: 2-[[4-(4-mesylbenzyl)-1,4-diazepan-1-yl]methyl]-3,5-dimethoxy-benzoic acid methyl ester Formula: C24H32N2O6S MolecularWeight: 476.58568

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C(=C1)C(=O)OC)CN2CCCN(CC2)CC3=CC=C(C=C3)S(=O)(=O)C)OC

Isomeric SMILES

COC1=CC(=C(C(=C1)C(=O)OC)CN2CCCN(CC2)CC3=CC=C(C=C3)S(=O)(=O)C)OC

InChI

InChI=1S/C24H32N2O6S/c1-30-19-14-21(24(27)32-3)22(23(15-19)31-2)17-26-11-5-10-25(12-13-26)16-18-6-8-20(9-7-18)33(4,28)29/h6-9,14-15H,5,10-13,16-17H2,1-4H3