[2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 2-methoxy-5-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 2-methoxy-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-(isopentylamino)-2-oxo-ethyl] 2-methoxy-5-morpholinosulfonyl-benzoate CAS Name: 2-methoxy-5-(4-morpholinylsulfonyl)benzoic acid [2-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl] 2-methoxy-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-methoxy-5-morpholinosulfonyl-benzoic acid [2-(isoamylamino)-2-keto-ethyl] ester Formula: C19H28N2O7S MolecularWeight: 428.49982

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)OC

Isomeric SMILES

CC(C)CCNC(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)OC

InChI

InChI=1S/C19H28N2O7S/c1-14(2)6-7-20-18(22)13-28-19(23)16-12-15(4-5-17(16)26-3)29(24,25)21-8-10-27-11-9-21/h4-5,12,14H,6-11,13H2,1-3H3,(H,20,22)