tert-butyl N-[1-[5-[2-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfonyl-1,3,4-oxadiazol-2-yl]-3-methyl-butyl]carbamate

Systemtic Name: tert-butyl N-[1-[5-[2-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfonyl-1,3,4-oxadiazol-2-yl]-3-methyl-butyl]carbamate Openeye Name: tert-butyl N-[1-[5-[2-(3-chloro-2-methyl-anilino)-2-oxo-ethyl]sulfonyl-1,3,4-oxadiazol-2-yl]-3-methyl-butyl]carbamate CAS Name: N-[1-[5-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfonyl-1,3,4-oxadiazol-2-yl]-3-methylbutyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[5-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfonyl-1,3,4-oxadiazol-2-yl]-3-methylbutyl]carbamate Traditional Name: N-[1-[5-[2-(3-chloro-2-methyl-anilino)-2-keto-ethyl]sulfonyl-1,3,4-oxadiazol-2-yl]-3-methyl-butyl]carbamic acid tert-butyl ester Formula: C21H29ClN4O6S MolecularWeight: 500.99616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)CS(=O)(=O)C2=NN=C(O2)C(CC(C)C)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)CS(=O)(=O)C2=NN=C(O2)C(CC(C)C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C21H29ClN4O6S/c1-12(2)10-16(24-19(28)32-21(4,5)6)18-25-26-20(31-18)33(29,30)11-17(27)23-15-9-7-8-14(22)13(15)3/h7-9,12,16H,10-11H2,1-6H3,(H,23,27)(H,24,28)