methyl 2-[(4-chloranyl-2-nitro-phenyl)methyl-(4-methoxyphenyl)sulfonyl-amino]-3-(oxan-2-yloxy)propanoate

Systemtic Name: methyl 2-[(4-chloranyl-2-nitro-phenyl)methyl-(4-methoxyphenyl)sulfonyl-amino]-3-(oxan-2-yloxy)propanoate Openeye Name: methyl 2-[(4-chloro-2-nitro-phenyl)methyl-(4-methoxyphenyl)sulfonyl-amino]-3-tetrahydropyran-2-yloxy-propanoate CAS Name: 2-[(4-chloro-2-nitrophenyl)methyl-(4-methoxyphenyl)sulfonylamino]-3-(2-oxanyloxy)propanoic acid methyl ester IUPAC Name: methyl 2-[(4-chloro-2-nitrophenyl)methyl-(4-methoxyphenyl)sulfonylamino]-3-(oxan-2-yloxy)propanoate Traditional Name: 2-[(4-chloro-2-nitro-benzyl)-(4-methoxyphenyl)sulfonyl-amino]-3-tetrahydropyran-2-yloxy-propionic acid methyl ester Formula: C23H27ClN2O9S MolecularWeight: 542.98648

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N(CC2=C(C=C(C=C2)Cl)[N+](=O)[O-])C(COC3CCCCO3)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N(CC2=C(C=C(C=C2)Cl)[N+](=O)[O-])C(COC3CCCCO3)C(=O)OC

InChI

InChI=1S/C23H27ClN2O9S/c1-32-18-8-10-19(11-9-18)36(30,31)25(14-16-6-7-17(24)13-20(16)26(28)29)21(23(27)33-2)15-35-22-5-3-4-12-34-22/h6-11,13,21-22H,3-5,12,14-15H2,1-2H3