2-methyl-N-[5-(4-methyl-3-propyl-phenyl)carbonyl-2-nitro-phenyl]propane-2-sulfonamide

Systemtic Name: 2-methyl-N-[5-(4-methyl-3-propyl-phenyl)carbonyl-2-nitro-phenyl]propane-2-sulfonamide Openeye Name: 2-methyl-N-[5-(4-methyl-3-propyl-benzoyl)-2-nitro-phenyl]propane-2-sulfonamide CAS Name: 2-methyl-N-[5-[(4-methyl-3-propylphenyl)-oxomethyl]-2-nitrophenyl]-2-propanesulfonamide IUPAC Name: 2-methyl-N-[5-(4-methyl-3-propylbenzoyl)-2-nitrophenyl]propane-2-sulfonamide Traditional Name: 2-methyl-N-[5-(4-methyl-3-propyl-benzoyl)-2-nitro-phenyl]propane-2-sulfonamide Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)C(=O)C2=CC(=C(C=C2)[N+](=O)[O-])NS(=O)(=O)C(C)(C)C)C

Isomeric SMILES

CCCC1=C(C=CC(=C1)C(=O)C2=CC(=C(C=C2)[N+](=O)[O-])NS(=O)(=O)C(C)(C)C)C

InChI

InChI=1S/C21H26N2O5S/c1-6-7-15-12-16(9-8-14(15)2)20(24)17-10-11-19(23(25)26)18(13-17)22-29(27,28)21(3,4)5/h8-13,22H,6-7H2,1-5H3