ethyl 2-[[4-(azepan-1-ylsulfonyl)phenyl]carbonylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[4-(azepan-1-ylsulfonyl)phenyl]carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]thiophene-3-carboxylate CAS Name: 2-[[[4-(1-azepanylsulfonyl)phenyl]-oxomethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[4-(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=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

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

InChI

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