[2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 2-chloranyl-5-methylsulfonyl-benzoate

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 2-chloranyl-5-methylsulfonyl-benzoate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] 2-chloro-5-methylsulfonyl-benzoate CAS Name: 2-chloro-5-methylsulfonylbenzoic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] 2-chloro-5-methylsulfonylbenzoate Traditional Name: 2-chloro-5-mesyl-benzoic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C15H20ClNO5S MolecularWeight: 361.841

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)C)Cl

Isomeric SMILES

CCC(CC)NC(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)C)Cl

InChI

InChI=1S/C15H20ClNO5S/c1-4-10(5-2)17-14(18)9-22-15(19)12-8-11(23(3,20)21)6-7-13(12)16/h6-8,10H,4-5,9H2,1-3H3,(H,17,18)