ethyl 2-[(4-chloranyl-3-nitro-phenyl)sulfonyl-[(3-methylphenyl)methyl]amino]-2-methyl-propanoate

Systemtic Name: ethyl 2-[(4-chloranyl-3-nitro-phenyl)sulfonyl-[(3-methylphenyl)methyl]amino]-2-methyl-propanoate Openeye Name: ethyl 2-[(4-chloro-3-nitro-phenyl)sulfonyl-(m-tolylmethyl)amino]-2-methyl-propanoate CAS Name: 2-[(4-chloro-3-nitrophenyl)sulfonyl-[(3-methylphenyl)methyl]amino]-2-methylpropanoic acid ethyl ester IUPAC Name: ethyl 2-[(4-chloro-3-nitrophenyl)sulfonyl-[(3-methylphenyl)methyl]amino]-2-methylpropanoate Traditional Name: 2-[(4-chloro-3-nitro-phenyl)sulfonyl-(3-methylbenzyl)amino]-2-methyl-propionic acid ethyl ester Formula: C20H23ClN2O6S MolecularWeight: 454.92442

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C)N(CC1=CC=CC(=C1)C)S(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C(C)(C)N(CC1=CC=CC(=C1)C)S(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H23ClN2O6S/c1-5-29-19(24)20(3,4)22(13-15-8-6-7-14(2)11-15)30(27,28)16-9-10-17(21)18(12-16)23(25)26/h6-12H,5,13H2,1-4H3