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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

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