(5-chloranyl-1,2,3-thiadiazol-4-yl)methyl 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate

Systemtic Name: (5-chloranyl-1,2,3-thiadiazol-4-yl)methyl 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate Openeye Name: (5-chlorothiadiazol-4-yl)methyl 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate CAS Name: 5-(1-azepanylsulfonyl)-2-methoxybenzoic acid (5-chloro-4-thiadiazolyl)methyl ester IUPAC Name: (5-chlorothiadiazol-4-yl)methyl 5-(azepan-1-ylsulfonyl)-2-methoxybenzoate Traditional Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoic acid (5-chlorothiadiazol-4-yl)methyl ester Formula: C17H20ClN3O5S2 MolecularWeight: 445.9408

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)OCC3=C(SN=N3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)OCC3=C(SN=N3)Cl

InChI

InChI=1S/C17H20ClN3O5S2/c1-25-15-7-6-12(28(23,24)21-8-4-2-3-5-9-21)10-13(15)17(22)26-11-14-16(18)27-20-19-14/h6-7,10H,2-5,8-9,11H2,1H3