methyl 2-[methylsulfonyl-[(2-nitrophenyl)methyl]amino]-3-phenyl-propanoate

Systemtic Name: methyl 2-[methylsulfonyl-[(2-nitrophenyl)methyl]amino]-3-phenyl-propanoate Openeye Name: methyl 2-[methylsulfonyl-[(2-nitrophenyl)methyl]amino]-3-phenyl-propanoate CAS Name: 2-[methylsulfonyl-[(2-nitrophenyl)methyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[methylsulfonyl-[(2-nitrophenyl)methyl]amino]-3-phenylpropanoate Traditional Name: 2-[mesyl-(2-nitrobenzyl)amino]-3-phenyl-propionic acid methyl ester Formula: C18H20N2O6S MolecularWeight: 392.4262

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)N(CC2=CC=CC=C2[N+](=O)[O-])S(=O)(=O)C

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1)N(CC2=CC=CC=C2[N+](=O)[O-])S(=O)(=O)C

InChI

InChI=1S/C18H20N2O6S/c1-26-18(21)17(12-14-8-4-3-5-9-14)19(27(2,24)25)13-15-10-6-7-11-16(15)20(22)23/h3-11,17H,12-13H2,1-2H3