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

Systemtic Name: (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 3-(azepan-1-ylsulfonyl)benzoate Openeye Name: [2-(2-thienyl)oxazol-4-yl]methyl 3-(azepan-1-ylsulfonyl)benzoate CAS Name: 3-(1-azepanylsulfonyl)benzoic acid (2-thiophen-2-yl-4-oxazolyl)methyl ester IUPAC Name: (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 3-(azepan-1-ylsulfonyl)benzoate Traditional Name: 3-(azepan-1-ylsulfonyl)benzoic acid [2-(2-thienyl)oxazol-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=CC(=C2)C(=O)OCC3=COC(=N3)C4=CC=CS4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=COC(=N3)C4=CC=CS4

InChI

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