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

Systemtic Name: (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate Openeye Name: [2-(2-thienyl)oxazol-4-yl]methyl 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-chlorobenzoic 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)-4-chlorobenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-benzoic acid [2-(2-thienyl)oxazol-4-yl]methyl ester Formula: C21H21ClN2O5S2 MolecularWeight: 480.98484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN2O5S2/c22-17-8-7-15(12-19(17)31(26,27)24-9-3-1-2-4-10-24)21(25)29-14-16-13-28-20(23-16)18-6-5-11-30-18/h5-8,11-13H,1-4,9-10,14H2