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

Systemtic Name: 1,3,4-thiadiazol-2-yl 5-(azepan-1-ylsulfonyl)-2-chloranyl-benzoate Openeye Name: 1,3,4-thiadiazol-2-yl 5-(azepan-1-ylsulfonyl)-2-chloro-benzoate CAS Name: 5-(1-azepanylsulfonyl)-2-chlorobenzoic acid 1,3,4-thiadiazol-2-yl ester IUPAC Name: 1,3,4-thiadiazol-2-yl 5-(azepan-1-ylsulfonyl)-2-chlorobenzoate Traditional Name: 5-(azepan-1-ylsulfonyl)-2-chloro-benzoic acid 1,3,4-thiadiazol-2-yl ester Formula: C15H16ClN3O4S2 MolecularWeight: 401.88824

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OC3=NN=CS3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OC3=NN=CS3

InChI

InChI=1S/C15H16ClN3O4S2/c16-13-6-5-11(25(21,22)19-7-3-1-2-4-8-19)9-12(13)14(20)23-15-18-17-10-24-15/h5-6,9-10H,1-4,7-8H2