methyl 3-[[3-(azepan-1-ylsulfonyl)phenyl]carbonylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[[3-(azepan-1-ylsulfonyl)phenyl]carbonylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[3-(azepan-1-ylsulfonyl)benzoyl]amino]thiophene-2-carboxylate CAS Name: 3-[[[3-(1-azepanylsulfonyl)phenyl]-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[3-(azepan-1-ylsulfonyl)benzoyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[3-(azepan-1-ylsulfonyl)benzoyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C19H22N2O5S2 MolecularWeight: 422.51838

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C19H22N2O5S2/c1-26-19(23)17-16(9-12-27-17)20-18(22)14-7-6-8-15(13-14)28(24,25)21-10-4-2-3-5-11-21/h6-9,12-13H,2-5,10-11H2,1H3,(H,20,22)