methyl (2R)-2-[but-3-ynyl-(4-nitrophenyl)sulfonyl-amino]-3-(4-methoxyphenyl)propanoate

Systemtic Name: methyl (2R)-2-[but-3-ynyl-(4-nitrophenyl)sulfonyl-amino]-3-(4-methoxyphenyl)propanoate Openeye Name: methyl (2R)-2-[but-3-ynyl-(4-nitrophenyl)sulfonyl-amino]-3-(4-methoxyphenyl)propanoate CAS Name: (2R)-2-[but-3-ynyl-(4-nitrophenyl)sulfonylamino]-3-(4-methoxyphenyl)propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[but-3-ynyl-(4-nitrophenyl)sulfonylamino]-3-(4-methoxyphenyl)propanoate Traditional Name: (2R)-2-[but-3-ynyl(nosyl)amino]-3-(4-methoxyphenyl)propionic acid methyl ester Formula: C21H22N2O7S MolecularWeight: 446.47358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O7S/c1-4-5-14-22(31(27,28)19-12-8-17(9-13-19)23(25)26)20(21(24)30-3)15-16-6-10-18(29-2)11-7-16/h1,6-13,20H,5,14-15H2,2-3H3/t20-/m1/s1