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

Systemtic Name: 2-[[2-[(4-bromophenyl)sulfonylamino]-1-(3-methoxy-4-phenylmethoxy-phenyl)ethyl]amino]benzenecarboximidamide Openeye Name: 2-[[1-(4-benzyloxy-3-methoxy-phenyl)-2-[(4-bromophenyl)sulfonylamino]ethyl]amino]benzamidine CAS Name: 2-[[2-[(4-bromophenyl)sulfonylamino]-1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]amino]benzenecarboximidamide IUPAC Name: 2-[[2-[(4-bromophenyl)sulfonylamino]-1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]amino]benzenecarboximidamide Traditional Name: 2-[[1-(4-benzoxy-3-methoxy-phenyl)-2-(brosylamino)ethyl]amino]benzamidine Formula: C29H29BrN4O4S MolecularWeight: 609.53396

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(CNS(=O)(=O)C2=CC=C(C=C2)Br)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)Br)NC3=CC=CC=C3C(=N)N)OCC4=CC=CC=C4

InChI

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