N-[1-[3-(2-hexoxyphenyl)-2-(4-nitrophenyl)carbonyl-1,2-diaziridin-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[1-[3-(2-hexoxyphenyl)-2-(4-nitrophenyl)carbonyl-1,2-diaziridin-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]-4-methyl-benzenesulfonamide Openeye Name: N-[1-benzyl-2-[3-(2-hexoxyphenyl)-2-(4-nitrobenzoyl)diaziridin-1-yl]-2-oxo-ethyl]-4-methyl-benzenesulfonamide CAS Name: N-[1-[3-(2-hexoxyphenyl)-2-[(4-nitrophenyl)-oxomethyl]-1-diaziridinyl]-1-oxo-3-phenylpropan-2-yl]-4-methylbenzenesulfonamide IUPAC Name: N-[1-[3-(2-hexoxyphenyl)-2-(4-nitrobenzoyl)diaziridin-1-yl]-1-oxo-3-phenylpropan-2-yl]-4-methylbenzenesulfonamide Traditional Name: N-[1-benzyl-2-[3-(2-hexoxyphenyl)-2-(4-nitrobenzoyl)diaziridin-1-yl]-2-keto-ethyl]-4-methyl-benzenesulfonamide Formula: C36H38N4O7S MolecularWeight: 670.77452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC=C1C2N(N2C(=O)C(CC3=CC=CC=C3)NS(=O)(=O)C4=CC=C(C=C4)C)C(=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CCCCCCOC1=CC=CC=C1C2N(N2C(=O)C(CC3=CC=CC=C3)NS(=O)(=O)C4=CC=C(C=C4)C)C(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C36H38N4O7S/c1-3-4-5-11-24-47-33-15-10-9-14-31(33)34-38(35(41)28-18-20-29(21-19-28)40(43)44)39(34)36(42)32(25-27-12-7-6-8-13-27)37-48(45,46)30-22-16-26(2)17-23-30/h6-10,12-23,32,34,37H,3-5,11,24-25H2,1-2H3