2-[[2-[(2,4-dinitrophenyl)sulfonylamino]-1-(3-methoxy-4-phenylmethoxy-phenyl)ethyl]amino]benzenecarboximidamide

Systemtic Name: 2-[[2-[(2,4-dinitrophenyl)sulfonylamino]-1-(3-methoxy-4-phenylmethoxy-phenyl)ethyl]amino]benzenecarboximidamide Openeye Name: 2-[[1-(4-benzyloxy-3-methoxy-phenyl)-2-[(2,4-dinitrophenyl)sulfonylamino]ethyl]amino]benzamidine CAS Name: 2-[[2-[(2,4-dinitrophenyl)sulfonylamino]-1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]amino]benzenecarboximidamide IUPAC Name: 2-[[2-[(2,4-dinitrophenyl)sulfonylamino]-1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]amino]benzenecarboximidamide Traditional Name: 2-[[1-(4-benzoxy-3-methoxy-phenyl)-2-[(2,4-dinitrophenyl)sulfonylamino]ethyl]amino]benzamidine Formula: C29H28N6O8S MolecularWeight: 620.63302

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(CNS(=O)(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])NC3=CC=CC=C3C(=N)N)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)C(CNS(=O)(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])NC3=CC=CC=C3C(=N)N)OCC4=CC=CC=C4

InChI

InChI=1S/C29H28N6O8S/c1-42-27-15-20(11-13-26(27)43-18-19-7-3-2-4-8-19)24(33-23-10-6-5-9-22(23)29(30)31)17-32-44(40,41)28-14-12-21(34(36)37)16-25(28)35(38)39/h2-16,24,32-33H,17-18H2,1H3,(H3,30,31)