(2-acetamido-1,3-thiazol-4-yl)methyl 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate

Systemtic Name: (2-acetamido-1,3-thiazol-4-yl)methyl 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate Openeye Name: (2-acetamidothiazol-4-yl)methyl 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-methoxybenzoic acid (2-acetamido-4-thiazolyl)methyl ester IUPAC Name: (2-acetamido-1,3-thiazol-4-yl)methyl 3-(azepan-1-ylsulfonyl)-4-methoxybenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoic acid (2-acetamidothiazol-4-yl)methyl ester Formula: C20H25N3O6S2 MolecularWeight: 467.559

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=CS1)COC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC(=O)NC1=NC(=CS1)COC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H25N3O6S2/c1-14(24)21-20-22-16(13-30-20)12-29-19(25)15-7-8-17(28-2)18(11-15)31(26,27)23-9-5-3-4-6-10-23/h7-8,11,13H,3-6,9-10,12H2,1-2H3,(H,21,22,24)