methyl (2R,3S)-2-[(4-cyanophenyl)sulfonylamino]-3-methyl-pentanoate

Systemtic Name: methyl (2R,3S)-2-[(4-cyanophenyl)sulfonylamino]-3-methyl-pentanoate Openeye Name: methyl (2R,3S)-2-[(4-cyanophenyl)sulfonylamino]-3-methyl-pentanoate CAS Name: (2R,3S)-2-[(4-cyanophenyl)sulfonylamino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl (2R,3S)-2-[(4-cyanophenyl)sulfonylamino]-3-methylpentanoate Traditional Name: (2R,3S)-2-[(4-cyanophenyl)sulfonylamino]-3-methyl-valeric acid methyl ester Formula: C14H18N2O4S MolecularWeight: 310.36872

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NS(=O)(=O)C1=CC=C(C=C1)C#N

Isomeric SMILES

CC[C@H](C)[C@H](C(=O)OC)NS(=O)(=O)C1=CC=C(C=C1)C#N

InChI

InChI=1S/C14H18N2O4S/c1-4-10(2)13(14(17)20-3)16-21(18,19)12-7-5-11(9-15)6-8-12/h5-8,10,13,16H,4H2,1-3H3/t10-,13+/m0/s1