N-[1-[3-(2-heptoxyphenyl)-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-heptoxyphenyl)-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-heptoxyphenyl)-2-(4-nitrobenzoyl)diaziridin-1-yl]-2-oxo-ethyl]-4-methyl-benzenesulfonamide CAS Name: N-[1-[3-(2-heptoxyphenyl)-2-[(4-nitrophenyl)-oxomethyl]-1-diaziridinyl]-1-oxo-3-phenylpropan-2-yl]-4-methylbenzenesulfonamide IUPAC Name: N-[1-[3-(2-heptoxyphenyl)-2-(4-nitrobenzoyl)diaziridin-1-yl]-1-oxo-3-phenylpropan-2-yl]-4-methylbenzenesulfonamide Traditional Name: N-[1-benzyl-2-[3-(2-heptoxyphenyl)-2-(4-nitrobenzoyl)diaziridin-1-yl]-2-keto-ethyl]-4-methyl-benzenesulfonamide Formula: C37H40N4O7S MolecularWeight: 684.8011

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=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

CCCCCCCOC1=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/C37H40N4O7S/c1-3-4-5-6-12-25-48-34-16-11-10-15-32(34)35-39(36(42)29-19-21-30(22-20-29)41(44)45)40(35)37(43)33(26-28-13-8-7-9-14-28)38-49(46,47)31-23-17-27(2)18-24-31/h7-11,13-24,33,35,38H,3-6,12,25-26H2,1-2H3