ethyl 5-[[3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]carbonylamino]thiophene-2-carboxylate

Systemtic Name: ethyl 5-[[3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]carbonylamino]thiophene-2-carboxylate Openeye Name: ethyl 5-[[3-(azepan-1-ylsulfonyl)-4-chloro-benzoyl]amino]thiophene-2-carboxylate CAS Name: 5-[[[3-(1-azepanylsulfonyl)-4-chlorophenyl]-oxomethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[3-(azepan-1-ylsulfonyl)-4-chlorobenzoyl]amino]thiophene-2-carboxylate Traditional Name: 5-[[3-(azepan-1-ylsulfonyl)-4-chloro-benzoyl]amino]thiophene-2-carboxylic acid ethyl ester Formula: C20H23ClN2O5S2 MolecularWeight: 470.99002

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(S1)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCOC(=O)C1=CC=C(S1)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H23ClN2O5S2/c1-2-28-20(25)16-9-10-18(29-16)22-19(24)14-7-8-15(21)17(13-14)30(26,27)23-11-5-3-4-6-12-23/h7-10,13H,2-6,11-12H2,1H3,(H,22,24)