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

Systemtic Name: [2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-(azepan-1-ylsulfonyl)benzoate Openeye Name: [2-(2-methoxyphenyl)thiazol-4-yl]methyl 3-(azepan-1-ylsulfonyl)benzoate CAS Name: 3-(1-azepanylsulfonyl)benzoic acid [2-(2-methoxyphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-(azepan-1-ylsulfonyl)benzoate Traditional Name: 3-(azepan-1-ylsulfonyl)benzoic acid [2-(2-methoxyphenyl)thiazol-4-yl]methyl ester Formula: C24H26N2O5S2 MolecularWeight: 486.60364

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NC(=CS2)COC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

COC1=CC=CC=C1C2=NC(=CS2)COC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C24H26N2O5S2/c1-30-22-12-5-4-11-21(22)23-25-19(17-32-23)16-31-24(27)18-9-8-10-20(15-18)33(28,29)26-13-6-2-3-7-14-26/h4-5,8-12,15,17H,2-3,6-7,13-14,16H2,1H3