N-(4-tert-butylphenyl)-4-methylsulfonyl-2-nitro-aniline

Systemtic Name: N-(4-tert-butylphenyl)-4-methylsulfonyl-2-nitro-aniline Openeye Name: N-(4-tert-butylphenyl)-4-methylsulfonyl-2-nitro-aniline CAS Name: N-(4-tert-butylphenyl)-4-methylsulfonyl-2-nitroaniline IUPAC Name: N-(4-tert-butylphenyl)-4-methylsulfonyl-2-nitroaniline Traditional Name: (4-tert-butylphenyl)-(4-mesyl-2-nitro-phenyl)amine Formula: C17H20N2O4S MolecularWeight: 348.4167

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C17H20N2O4S/c1-17(2,3)12-5-7-13(8-6-12)18-15-10-9-14(24(4,22)23)11-16(15)19(20)21/h5-11,18H,1-4H3