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

Systemtic Name: ethyl 2-[[3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]carbonylamino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[[3-(azepan-1-ylsulfonyl)-4-chloro-benzoyl]amino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[[3-(1-azepanylsulfonyl)-4-chlorophenyl]-oxomethyl]amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[3-(azepan-1-ylsulfonyl)-4-chlorobenzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[[3-(azepan-1-ylsulfonyl)-4-chloro-benzoyl]amino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C20H24ClN3O5S2 MolecularWeight: 486.00466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24ClN3O5S2/c1-3-29-19(26)17-13(2)22-20(30-17)23-18(25)14-8-9-15(21)16(12-14)31(27,28)24-10-6-4-5-7-11-24/h8-9,12H,3-7,10-11H2,1-2H3,(H,22,23,25)