N-[(4-tert-butylphenyl)methyl]-4-chloranyl-N-(2,4-dimethylphenyl)-3-nitro-benzenesulfonamide

Systemtic Name: N-[(4-tert-butylphenyl)methyl]-4-chloranyl-N-(2,4-dimethylphenyl)-3-nitro-benzenesulfonamide Openeye Name: N-[(4-tert-butylphenyl)methyl]-4-chloro-N-(2,4-dimethylphenyl)-3-nitro-benzenesulfonamide CAS Name: N-[(4-tert-butylphenyl)methyl]-4-chloro-N-(2,4-dimethylphenyl)-3-nitrobenzenesulfonamide IUPAC Name: N-[(4-tert-butylphenyl)methyl]-4-chloro-N-(2,4-dimethylphenyl)-3-nitrobenzenesulfonamide Traditional Name: N-(4-tert-butylbenzyl)-4-chloro-N-(2,4-dimethylphenyl)-3-nitro-benzenesulfonamide Formula: C25H27ClN2O4S MolecularWeight: 487.01088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N(CC2=CC=C(C=C2)C(C)(C)C)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)N(CC2=CC=C(C=C2)C(C)(C)C)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C

InChI

InChI=1S/C25H27ClN2O4S/c1-17-6-13-23(18(2)14-17)27(16-19-7-9-20(10-8-19)25(3,4)5)33(31,32)21-11-12-22(26)24(15-21)28(29)30/h6-15H,16H2,1-5H3