(2-ethyl-1,3-thiazol-4-yl)methyl 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate

Systemtic Name: (2-ethyl-1,3-thiazol-4-yl)methyl 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate Openeye Name: (2-ethylthiazol-4-yl)methyl 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-chlorobenzoic acid (2-ethyl-4-thiazolyl)methyl ester IUPAC Name: (2-ethyl-1,3-thiazol-4-yl)methyl 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-benzoic acid (2-ethylthiazol-4-yl)methyl ester Formula: C19H23ClN2O4S2 MolecularWeight: 442.97992

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=CS1)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCC1=NC(=CS1)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C19H23ClN2O4S2/c1-2-18-21-15(13-27-18)12-26-19(23)14-7-8-16(20)17(11-14)28(24,25)22-9-5-3-4-6-10-22/h7-8,11,13H,2-6,9-10,12H2,1H3