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

Systemtic Name: 4-[2-[(4-bromophenyl)sulfonylamino]ethyl-(3-methoxy-4-phenylmethoxy-phenyl)amino]benzenecarboximidamide Openeye Name: 4-[4-benzyloxy-N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-3-methoxy-anilino]benzamidine CAS Name: 4-[N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-3-methoxy-4-phenylmethoxyanilino]benzenecarboximidamide IUPAC Name: 4-[N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-3-methoxy-4-phenylmethoxyanilino]benzenecarboximidamide Traditional Name: 4-[4-benzoxy-N-[2-(brosylamino)ethyl]-3-methoxy-anilino]benzamidine Formula: C29H29BrN4O4S MolecularWeight: 609.53396

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)N(CCNS(=O)(=O)C2=CC=C(C=C2)Br)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)Br)C3=CC=C(C=C3)C(=N)N)OCC4=CC=CC=C4

InChI

InChI=1S/C29H29BrN4O4S/c1-37-28-19-25(13-16-27(28)38-20-21-5-3-2-4-6-21)34(24-11-7-22(8-12-24)29(31)32)18-17-33-39(35,36)26-14-9-23(30)10-15-26/h2-16,19,33H,17-18,20H2,1H3,(H3,31,32)