methyl 3-methyl-2-[(3-morpholin-4-ylsulfonylphenyl)carbonylamino]pentanoate

Systemtic Name: methyl 3-methyl-2-[(3-morpholin-4-ylsulfonylphenyl)carbonylamino]pentanoate Openeye Name: methyl 3-methyl-2-[(3-morpholinosulfonylbenzoyl)amino]pentanoate CAS Name: 3-methyl-2-[[[3-(4-morpholinylsulfonyl)phenyl]-oxomethyl]amino]pentanoic acid methyl ester IUPAC Name: methyl 3-methyl-2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]pentanoate Traditional Name: 3-methyl-2-[(3-morpholinosulfonylbenzoyl)amino]valeric acid methyl ester Formula: C18H26N2O6S MolecularWeight: 398.47384

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCOCC2

Isomeric SMILES

CCC(C)C(C(=O)OC)NC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCOCC2

InChI

InChI=1S/C18H26N2O6S/c1-4-13(2)16(18(22)25-3)19-17(21)14-6-5-7-15(12-14)27(23,24)20-8-10-26-11-9-20/h5-7,12-13,16H,4,8-11H2,1-3H3,(H,19,21)