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

Systemtic Name: ethyl 2-[[4-(azepan-1-ylsulfonyl)phenyl]carbonylamino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[[4-(1-azepanylsulfonyl)phenyl]-oxomethyl]amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C20H25N3O5S2 MolecularWeight: 451.5596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O5S2/c1-3-28-19(25)17-14(2)21-20(29-17)22-18(24)15-8-10-16(11-9-15)30(26,27)23-12-6-4-5-7-13-23/h8-11H,3-7,12-13H2,1-2H3,(H,21,22,24)