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

Systemtic Name: 4-methyl-N-[1-[2-(4-nitrophenyl)carbonyl-3-(2-pentoxyphenyl)-1,2-diaziridin-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]benzenesulfonamide Openeye Name: N-[1-benzyl-2-[2-(4-nitrobenzoyl)-3-(2-pentoxyphenyl)diaziridin-1-yl]-2-oxo-ethyl]-4-methyl-benzenesulfonamide CAS Name: 4-methyl-N-[1-[2-[(4-nitrophenyl)-oxomethyl]-3-(2-pentoxyphenyl)-1-diaziridinyl]-1-oxo-3-phenylpropan-2-yl]benzenesulfonamide IUPAC Name: 4-methyl-N-[1-[2-(4-nitrobenzoyl)-3-(2-pentoxyphenyl)diaziridin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzenesulfonamide Traditional Name: N-[2-[3-(2-amoxyphenyl)-2-(4-nitrobenzoyl)diaziridin-1-yl]-1-benzyl-2-keto-ethyl]-4-methyl-benzenesulfonamide Formula: C35H36N4O7S MolecularWeight: 656.74794

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=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

CCCCCOC1=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/C35H36N4O7S/c1-3-4-10-23-46-32-14-9-8-13-30(32)33-37(34(40)27-17-19-28(20-18-27)39(42)43)38(33)35(41)31(24-26-11-6-5-7-12-26)36-47(44,45)29-21-15-25(2)16-22-29/h5-9,11-22,31,33,36H,3-4,10,23-24H2,1-2H3