[(2S,4S)-4-azido-1-(4-methylphenyl)sulfonyl-pyrrolidin-2-yl]methyl benzoate

Systemtic Name: [(2S,4S)-4-azido-1-(4-methylphenyl)sulfonyl-pyrrolidin-2-yl]methyl benzoate Openeye Name: [(2S,4S)-4-azido-1-(p-tolylsulfonyl)pyrrolidin-2-yl]methyl benzoate CAS Name: benzoic acid [(2S,4S)-4-azido-1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]methyl ester IUPAC Name: [(2S,4S)-4-azido-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl benzoate Traditional Name: benzoic acid [(2S,4S)-4-azido-1-tosyl-pyrrolidin-2-yl]methyl ester Formula: C19H20N4O4S MolecularWeight: 400.4515

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC(CC2COC(=O)C3=CC=CC=C3)N=[N+]=[N-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C[C@H](C[C@H]2COC(=O)C3=CC=CC=C3)N=[N+]=[N-]

InChI

InChI=1S/C19H20N4O4S/c1-14-7-9-18(10-8-14)28(25,26)23-12-16(21-22-20)11-17(23)13-27-19(24)15-5-3-2-4-6-15/h2-10,16-17H,11-13H2,1H3/t16-,17-/m0/s1