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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)N(CCNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)C(=N)N)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)N(CCNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)C(=N)N)OCC4=CC=CC=C4

InChI

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