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

Systemtic Name: [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: [2-(2-furyl)thiazol-4-yl]methyl 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid [2-(2-furanyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid [2-(2-furyl)thiazol-4-yl]methyl ester Formula: C21H22N2O5S2 MolecularWeight: 446.53978

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=CSC(=N3)C4=CC=CO4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=CSC(=N3)C4=CC=CO4

InChI

InChI=1S/C21H22N2O5S2/c24-21(28-14-17-15-29-20(22-17)19-6-5-13-27-19)16-7-9-18(10-8-16)30(25,26)23-11-3-1-2-4-12-23/h5-10,13,15H,1-4,11-12,14H2