N-[5-(4-butoxyphenyl)carbonyl-2-nitro-phenyl]pentane-1-sulfonamide

Systemtic Name: N-[5-(4-butoxyphenyl)carbonyl-2-nitro-phenyl]pentane-1-sulfonamide Openeye Name: N-[5-(4-butoxybenzoyl)-2-nitro-phenyl]pentane-1-sulfonamide CAS Name: N-[5-[(4-butoxyphenyl)-oxomethyl]-2-nitrophenyl]-1-pentanesulfonamide IUPAC Name: N-[5-(4-butoxybenzoyl)-2-nitrophenyl]pentane-1-sulfonamide Traditional Name: N-[5-(4-butoxybenzoyl)-2-nitro-phenyl]pentane-1-sulfonamide Formula: C22H28N2O6S MolecularWeight: 448.53252

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCS(=O)(=O)NC1=C(C=CC(=C1)C(=O)C2=CC=C(C=C2)OCCCC)[N+](=O)[O-]

Isomeric SMILES

CCCCCS(=O)(=O)NC1=C(C=CC(=C1)C(=O)C2=CC=C(C=C2)OCCCC)[N+](=O)[O-]

InChI

InChI=1S/C22H28N2O6S/c1-3-5-7-15-31(28,29)23-20-16-18(10-13-21(20)24(26)27)22(25)17-8-11-19(12-9-17)30-14-6-4-2/h8-13,16,23H,3-7,14-15H2,1-2H3