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

Systemtic Name: 2-[[1-(3-methoxy-4-phenylmethoxy-phenyl)-2-[(4-nitrophenyl)sulfonylamino]ethyl]amino]benzenecarboximidamide Openeye Name: 2-[[1-(4-benzyloxy-3-methoxy-phenyl)-2-[(4-nitrophenyl)sulfonylamino]ethyl]amino]benzamidine CAS Name: 2-[[1-(3-methoxy-4-phenylmethoxyphenyl)-2-[(4-nitrophenyl)sulfonylamino]ethyl]amino]benzenecarboximidamide IUPAC Name: 2-[[1-(3-methoxy-4-phenylmethoxyphenyl)-2-[(4-nitrophenyl)sulfonylamino]ethyl]amino]benzenecarboximidamide Traditional Name: 2-[[1-(4-benzoxy-3-methoxy-phenyl)-2-(nosylamino)ethyl]amino]benzamidine Formula: C29H29N5O6S MolecularWeight: 575.63546

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C29H29N5O6S/c1-39-28-17-21(11-16-27(28)40-19-20-7-3-2-4-8-20)26(33-25-10-6-5-9-24(25)29(30)31)18-32-41(37,38)23-14-12-22(13-15-23)34(35)36/h2-17,26,32-33H,18-19H2,1H3,(H3,30,31)