propan-2-yl 3-[[5-(2-chloranyl-4-propan-2-ylsulfonyl-phenoxy)-2-nitro-phenyl]amino]propanoate

Systemtic Name: propan-2-yl 3-[[5-(2-chloranyl-4-propan-2-ylsulfonyl-phenoxy)-2-nitro-phenyl]amino]propanoate Openeye Name: isopropyl 3-[5-(2-chloro-4-isopropylsulfonyl-phenoxy)-2-nitro-anilino]propanoate CAS Name: 3-[5-(2-chloro-4-propan-2-ylsulfonylphenoxy)-2-nitroanilino]propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[5-(2-chloro-4-propan-2-ylsulfonylphenoxy)-2-nitroanilino]propanoate Traditional Name: 3-[5-(2-chloro-4-isopropylsulfonyl-phenoxy)-2-nitro-anilino]propionic acid isopropyl ester Formula: C21H25ClN2O7S MolecularWeight: 484.9504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CCNC1=C(C=CC(=C1)OC2=C(C=C(C=C2)S(=O)(=O)C(C)C)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)OC(=O)CCNC1=C(C=CC(=C1)OC2=C(C=C(C=C2)S(=O)(=O)C(C)C)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H25ClN2O7S/c1-13(2)30-21(25)9-10-23-18-11-15(5-7-19(18)24(26)27)31-20-8-6-16(12-17(20)22)32(28,29)14(3)4/h5-8,11-14,23H,9-10H2,1-4H3