(phenylmethyl) (E)-3-[(2R,3S)-3-[3-[[azanyl-[(2,4,6-trimethylphenyl)sulfonylamino]methylidene]amino]propyl]-1-(2-nitrophenyl)sulfonyl-aziridin-2-yl]prop-2-enoate

Systemtic Name: (phenylmethyl) (E)-3-[(2R,3S)-3-[3-[[azanyl-[(2,4,6-trimethylphenyl)sulfonylamino]methylidene]amino]propyl]-1-(2-nitrophenyl)sulfonyl-aziridin-2-yl]prop-2-enoate Openeye Name: benzyl (E)-3-[(2R,3S)-3-[3-[[amino-[(2,4,6-trimethylphenyl)sulfonylamino]methylene]amino]propyl]-1-(2-nitrophenyl)sulfonyl-aziridin-2-yl]prop-2-enoate CAS Name: (E)-3-[(2R,3S)-3-[3-[[amino-[(2,4,6-trimethylphenyl)sulfonylamino]methylidene]amino]propyl]-1-(2-nitrophenyl)sulfonyl-2-aziridinyl]-2-propenoic acid (phenylmethyl) ester IUPAC Name: benzyl (E)-3-[(2R,3S)-3-[3-[[amino-[(2,4,6-trimethylphenyl)sulfonylamino]methylidene]amino]propyl]-1-(2-nitrophenyl)sulfonylaziridin-2-yl]prop-2-enoate Traditional Name: (E)-3-[(2R,3S)-3-[3-[[amino-(mesitylsulfonylamino)methylene]amino]propyl]-1-(2-nitrophenyl)sulfonyl-ethylenimin-2-yl]acrylic acid benzyl ester Formula: C31H35N5O8S2 MolecularWeight: 669.7683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)NC(=NCCCC2C(N2S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])C=CC(=O)OCC4=CC=CC=C4)N)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)NC(=NCCC[C@H]2[C@H](N2S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])/C=C/C(=O)OCC4=CC=CC=C4)N)C

InChI

InChI=1S/C31H35N5O8S2/c1-21-18-22(2)30(23(3)19-21)45(40,41)34-31(32)33-17-9-13-25-26(15-16-29(37)44-20-24-10-5-4-6-11-24)35(25)46(42,43)28-14-8-7-12-27(28)36(38)39/h4-8,10-12,14-16,18-19,25-26H,9,13,17,20H2,1-3H3,(H3,32,33,34)/b16-15+/t25-,26+,35?/m0/s1