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

Systemtic Name: ethyl 2-[[3-(azepan-1-ylsulfonyl)phenyl]carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[3-(azepan-1-ylsulfonyl)benzoyl]amino]thiophene-3-carboxylate CAS Name: 2-[[[3-(1-azepanylsulfonyl)phenyl]-oxomethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[3-(azepan-1-ylsulfonyl)benzoyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[3-(azepan-1-ylsulfonyl)benzoyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C20H24N2O5S2 MolecularWeight: 436.54496

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H24N2O5S2/c1-2-27-20(24)17-10-13-28-19(17)21-18(23)15-8-7-9-16(14-15)29(25,26)22-11-5-3-4-6-12-22/h7-10,13-14H,2-6,11-12H2,1H3,(H,21,23)