[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxidanylidene-hexan-2-yl] 2-chloranyl-5-methylsulfonyl-benzoate

Systemtic Name: [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxidanylidene-hexan-2-yl] 2-chloranyl-5-methylsulfonyl-benzoate Openeye Name: 1-[(5-methylisoxazol-3-yl)carbamoyl]pentyl 2-chloro-5-methylsulfonyl-benzoate CAS Name: 2-chloro-5-methylsulfonylbenzoic acid [1-[(5-methyl-3-isoxazolyl)amino]-1-oxohexan-2-yl] ester IUPAC Name: [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxohexan-2-yl] 2-chloro-5-methylsulfonylbenzoate Traditional Name: 2-chloro-5-mesyl-benzoic acid 1-[(5-methylisoxazol-3-yl)carbamoyl]pentyl ester Formula: C18H21ClN2O6S MolecularWeight: 428.88714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NC1=NOC(=C1)C)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)C)Cl

Isomeric SMILES

CCCCC(C(=O)NC1=NOC(=C1)C)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)C)Cl

InChI

InChI=1S/C18H21ClN2O6S/c1-4-5-6-15(17(22)20-16-9-11(2)27-21-16)26-18(23)13-10-12(28(3,24)25)7-8-14(13)19/h7-10,15H,4-6H2,1-3H3,(H,20,21,22)