methyl (2S)-2-[(4-methoxy-3-nitro-phenyl)sulfonylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[(4-methoxy-3-nitro-phenyl)sulfonylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[(4-methoxy-3-nitro-phenyl)sulfonylamino]-3-phenyl-propanoate CAS Name: (2S)-2-[(4-methoxy-3-nitrophenyl)sulfonylamino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(4-methoxy-3-nitrophenyl)sulfonylamino]-3-phenylpropanoate Traditional Name: (2S)-2-[(4-methoxy-3-nitro-phenyl)sulfonylamino]-3-phenyl-propionic acid methyl ester Formula: C17H18N2O7S MolecularWeight: 394.39902

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N[C@@H](CC2=CC=CC=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C17H18N2O7S/c1-25-16-9-8-13(11-15(16)19(21)22)27(23,24)18-14(17(20)26-2)10-12-6-4-3-5-7-12/h3-9,11,14,18H,10H2,1-2H3/t14-/m0/s1