2-[5-[(3-chloranyl-2-methyl-phenyl)sulfonylamino]-1,3,4-thiadiazol-2-yl]ethyl benzoate

Systemtic Name: 2-[5-[(3-chloranyl-2-methyl-phenyl)sulfonylamino]-1,3,4-thiadiazol-2-yl]ethyl benzoate Openeye Name: 2-[5-[(3-chloro-2-methyl-phenyl)sulfonylamino]-1,3,4-thiadiazol-2-yl]ethyl benzoate CAS Name: benzoic acid 2-[5-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3,4-thiadiazol-2-yl]ethyl ester IUPAC Name: 2-[5-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3,4-thiadiazol-2-yl]ethyl benzoate Traditional Name: benzoic acid 2-[5-[(3-chloro-2-methyl-phenyl)sulfonylamino]-1,3,4-thiadiazol-2-yl]ethyl ester Formula: C18H16ClN3O4S2 MolecularWeight: 437.92034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)S(=O)(=O)NC2=NN=C(S2)CCOC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC=C1Cl)S(=O)(=O)NC2=NN=C(S2)CCOC(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H16ClN3O4S2/c1-12-14(19)8-5-9-15(12)28(24,25)22-18-21-20-16(27-18)10-11-26-17(23)13-6-3-2-4-7-13/h2-9H,10-11H2,1H3,(H,21,22)