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

Systemtic Name: methyl 3-[[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]sulfonyl]thiophene-2-carboxylate Openeye Name: methyl 3-[[4-(4-pyridylmethyl)-1,4-diazepan-1-yl]sulfonyl]thiophene-2-carboxylate CAS Name: 3-[[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]sulfonyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]sulfonyl]thiophene-2-carboxylate Traditional Name: 3-[[4-(4-pyridylmethyl)-1,4-diazepan-1-yl]sulfonyl]thiophene-2-carboxylic acid methyl ester Formula: C17H21N3O4S2 MolecularWeight: 395.49634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O4S2/c1-24-17(21)16-15(5-12-25-16)26(22,23)20-9-2-8-19(10-11-20)13-14-3-6-18-7-4-14/h3-7,12H,2,8-11,13H2,1H3