(2-methyl-1,3-thiazol-4-yl)methyl 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate

Systemtic Name: (2-methyl-1,3-thiazol-4-yl)methyl 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate Openeye Name: (2-methylthiazol-4-yl)methyl 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate CAS Name: 5-(1-azepanylsulfonyl)-2-methoxybenzoic acid (2-methyl-4-thiazolyl)methyl ester IUPAC Name: (2-methyl-1,3-thiazol-4-yl)methyl 5-(azepan-1-ylsulfonyl)-2-methoxybenzoate Traditional Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoic acid (2-methylthiazol-4-yl)methyl ester Formula: C19H24N2O5S2 MolecularWeight: 424.53426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC

Isomeric SMILES

CC1=NC(=CS1)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC

InChI

InChI=1S/C19H24N2O5S2/c1-14-20-15(13-27-14)12-26-19(22)17-11-16(7-8-18(17)25-2)28(23,24)21-9-5-3-4-6-10-21/h7-8,11,13H,3-6,9-10,12H2,1-2H3