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

Systemtic Name: ethyl 2-[[4-(azepan-1-ylsulfonyl)phenyl]carbonylamino]-4-(4-chlorophenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]-4-(4-chlorophenyl)thiophene-3-carboxylate CAS Name: 2-[[[4-(1-azepanylsulfonyl)phenyl]-oxomethyl]amino]-4-(4-chlorophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]-4-(4-chlorophenyl)thiophene-3-carboxylate Traditional Name: 2-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]-4-(4-chlorophenyl)thiophene-3-carboxylic acid ethyl ester Formula: C26H27ClN2O5S2 MolecularWeight: 547.08598

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Cl)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Cl)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C26H27ClN2O5S2/c1-2-34-26(31)23-22(18-7-11-20(27)12-8-18)17-35-25(23)28-24(30)19-9-13-21(14-10-19)36(32,33)29-15-5-3-4-6-16-29/h7-14,17H,2-6,15-16H2,1H3,(H,28,30)