methyl (3S)-3-[(4-nitrophenyl)sulfonylamino]-4-phenyl-butanoate

Systemtic Name: methyl (3S)-3-[(4-nitrophenyl)sulfonylamino]-4-phenyl-butanoate Openeye Name: methyl (3S)-3-[(4-nitrophenyl)sulfonylamino]-4-phenyl-butanoate CAS Name: (3S)-3-[(4-nitrophenyl)sulfonylamino]-4-phenylbutanoic acid methyl ester IUPAC Name: methyl (3S)-3-[(4-nitrophenyl)sulfonylamino]-4-phenylbutanoate Traditional Name: (3S)-3-(nosylamino)-4-phenyl-butyric acid methyl ester Formula: C17H18N2O6S MolecularWeight: 378.39962

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CC1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C[C@H](CC1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H18N2O6S/c1-25-17(20)12-14(11-13-5-3-2-4-6-13)18-26(23,24)16-9-7-15(8-10-16)19(21)22/h2-10,14,18H,11-12H2,1H3/t14-/m0/s1