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

Systemtic Name: methyl 3-[[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]sulfonyl]thiophene-2-carboxylate Openeye Name: methyl 3-[[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]sulfonyl]thiophene-2-carboxylate CAS Name: 3-[[4-[(1-methyl-2-imidazolyl)methyl]-1,4-diazepan-1-yl]sulfonyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]sulfonyl]thiophene-2-carboxylate Traditional Name: 3-[[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]sulfonyl]thiophene-2-carboxylic acid methyl ester Formula: C16H22N4O4S2 MolecularWeight: 398.50028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1CN2CCCN(CC2)S(=O)(=O)C3=C(SC=C3)C(=O)OC

Isomeric SMILES

CN1C=CN=C1CN2CCCN(CC2)S(=O)(=O)C3=C(SC=C3)C(=O)OC

InChI

InChI=1S/C16H22N4O4S2/c1-18-8-5-17-14(18)12-19-6-3-7-20(10-9-19)26(22,23)13-4-11-25-15(13)16(21)24-2/h4-5,8,11H,3,6-7,9-10,12H2,1-2H3