methyl 3-[[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]sulfonyl]thiophene-2-carboxylate

Systemtic Name: methyl 3-[[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]sulfonyl]thiophene-2-carboxylate Openeye Name: methyl 3-[[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]sulfonyl]thiophene-2-carboxylate CAS Name: 3-[[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]sulfonyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]sulfonyl]thiophene-2-carboxylate Traditional Name: 3-[[4-(4-mesylbenzyl)-1,4-diazepan-1-yl]sulfonyl]thiophene-2-carboxylic acid methyl ester Formula: C19H24N2O6S3 MolecularWeight: 472.59866

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)S(=O)(=O)N2CCCN(CC2)CC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=C(C=CS1)S(=O)(=O)N2CCCN(CC2)CC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C19H24N2O6S3/c1-27-19(22)18-17(8-13-28-18)30(25,26)21-10-3-9-20(11-12-21)14-15-4-6-16(7-5-15)29(2,23)24/h4-8,13H,3,9-12,14H2,1-2H3