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

Systemtic Name: ethyl 5-[[3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]carbonylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[[3-(azepan-1-ylsulfonyl)-4-chloro-benzoyl]amino]-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[[3-(1-azepanylsulfonyl)-4-chlorophenyl]-oxomethyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[3-(azepan-1-ylsulfonyl)-4-chlorobenzoyl]amino]-3-methylthiophene-2-carboxylate Traditional Name: 5-[[3-(azepan-1-ylsulfonyl)-4-chloro-benzoyl]amino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C21H25ClN2O5S2 MolecularWeight: 485.0166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN2O5S2/c1-3-29-21(26)19-14(2)12-18(30-19)23-20(25)15-8-9-16(22)17(13-15)31(27,28)24-10-6-4-5-7-11-24/h8-9,12-13H,3-7,10-11H2,1-2H3,(H,23,25)