ethyl (2S)-2-[[4-(azidomethyl)phenyl]sulfonyl-methyl-amino]-4-methyl-pentanoate

Systemtic Name: ethyl (2S)-2-[[4-(azidomethyl)phenyl]sulfonyl-methyl-amino]-4-methyl-pentanoate Openeye Name: ethyl (2S)-2-[[4-(azidomethyl)phenyl]sulfonyl-methyl-amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[4-(azidomethyl)phenyl]sulfonyl-methylamino]-4-methylpentanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[[4-(azidomethyl)phenyl]sulfonyl-methylamino]-4-methylpentanoate Traditional Name: (2S)-2-[[4-(azidomethyl)phenyl]sulfonyl-methyl-amino]-4-methyl-valeric acid ethyl ester Formula: C16H24N4O4S MolecularWeight: 368.45116

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(C)C)N(C)S(=O)(=O)C1=CC=C(C=C1)CN=[N+]=[N-]

Isomeric SMILES

CCOC(=O)[C@H](CC(C)C)N(C)S(=O)(=O)C1=CC=C(C=C1)CN=[N+]=[N-]

InChI

InChI=1S/C16H24N4O4S/c1-5-24-16(21)15(10-12(2)3)20(4)25(22,23)14-8-6-13(7-9-14)11-18-19-17/h6-9,12,15H,5,10-11H2,1-4H3/t15-/m0/s1