methyl 5-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]thiophene-2-carboxylate

Systemtic Name: methyl 5-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]thiophene-2-carboxylate Openeye Name: methyl 5-[4-(p-tolylsulfonyl)-1,4-diazepane-1-carbonyl]thiophene-2-carboxylate CAS Name: 5-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-oxomethyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[4-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carbonyl]thiophene-2-carboxylate Traditional Name: 5-(4-tosyl-1,4-diazepane-1-carbonyl)thiophene-2-carboxylic acid methyl ester Formula: C19H22N2O5S2 MolecularWeight: 422.51838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=CC=C(S3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=CC=C(S3)C(=O)OC

InChI

InChI=1S/C19H22N2O5S2/c1-14-4-6-15(7-5-14)28(24,25)21-11-3-10-20(12-13-21)18(22)16-8-9-17(27-16)19(23)26-2/h4-9H,3,10-13H2,1-2H3