2-[(4-methoxyphenyl)sulfonyl-[(4-methyl-3-nitro-phenyl)methyl]amino]-3-methyl-butanoic acid

Systemtic Name: 2-[(4-methoxyphenyl)sulfonyl-[(4-methyl-3-nitro-phenyl)methyl]amino]-3-methyl-butanoic acid Openeye Name: 2-[(4-methoxyphenyl)sulfonyl-[(4-methyl-3-nitro-phenyl)methyl]amino]-3-methyl-butanoic acid CAS Name: 2-[(4-methoxyphenyl)sulfonyl-[(4-methyl-3-nitrophenyl)methyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[(4-methoxyphenyl)sulfonyl-[(4-methyl-3-nitrophenyl)methyl]amino]-3-methylbutanoic acid Traditional Name: 2-[(4-methoxyphenyl)sulfonyl-(4-methyl-3-nitro-benzyl)amino]-3-methyl-butyric acid Formula: C20H24N2O7S MolecularWeight: 436.47876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CN(C(C(C)C)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)CN(C(C(C)C)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H24N2O7S/c1-13(2)19(20(23)24)21(12-15-6-5-14(3)18(11-15)22(25)26)30(27,28)17-9-7-16(29-4)8-10-17/h5-11,13,19H,12H2,1-4H3,(H,23,24)