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

Systemtic Name: methyl 3-[(4-ethanoyl-1,4-diazepan-1-yl)sulfonyl]thiophene-2-carboxylate Openeye Name: methyl 3-[(4-acetyl-1,4-diazepan-1-yl)sulfonyl]thiophene-2-carboxylate CAS Name: 3-[(4-acetyl-1,4-diazepan-1-yl)sulfonyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[(4-acetyl-1,4-diazepan-1-yl)sulfonyl]thiophene-2-carboxylate Traditional Name: 3-[(4-acetyl-1,4-diazepan-1-yl)sulfonyl]thiophene-2-carboxylic acid methyl ester Formula: C13H18N2O5S2 MolecularWeight: 346.42242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCN(CC1)S(=O)(=O)C2=C(SC=C2)C(=O)OC

Isomeric SMILES

CC(=O)N1CCCN(CC1)S(=O)(=O)C2=C(SC=C2)C(=O)OC

InChI

InChI=1S/C13H18N2O5S2/c1-10(16)14-5-3-6-15(8-7-14)22(18,19)11-4-9-21-12(11)13(17)20-2/h4,9H,3,5-8H2,1-2H3