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

Systemtic Name: (2-methyl-1,3-thiazol-4-yl)methyl 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: (2-methylthiazol-4-yl)methyl 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid (2-methyl-4-thiazolyl)methyl ester IUPAC Name: (2-methyl-1,3-thiazol-4-yl)methyl 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid (2-methylthiazol-4-yl)methyl ester Formula: C18H22N2O4S2 MolecularWeight: 394.50828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O4S2/c1-14-19-16(13-25-14)12-24-18(21)15-6-8-17(9-7-15)26(22,23)20-10-4-2-3-5-11-20/h6-9,13H,2-5,10-12H2,1H3