(4-methoxyphenyl) 4-(azepan-1-ylsulfonyl)thiophene-2-carboxylate

Systemtic Name: (4-methoxyphenyl) 4-(azepan-1-ylsulfonyl)thiophene-2-carboxylate Openeye Name: (4-methoxyphenyl) 4-(azepan-1-ylsulfonyl)thiophene-2-carboxylate CAS Name: 4-(1-azepanylsulfonyl)-2-thiophenecarboxylic acid (4-methoxyphenyl) ester IUPAC Name: (4-methoxyphenyl) 4-(azepan-1-ylsulfonyl)thiophene-2-carboxylate Traditional Name: 4-(azepan-1-ylsulfonyl)thiophene-2-carboxylic acid (4-methoxyphenyl) ester Formula: C18H21NO5S2 MolecularWeight: 395.49304

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OC(=O)C2=CC(=CS2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)OC(=O)C2=CC(=CS2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C18H21NO5S2/c1-23-14-6-8-15(9-7-14)24-18(20)17-12-16(13-25-17)26(21,22)19-10-4-2-3-5-11-19/h6-9,12-13H,2-5,10-11H2,1H3