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

Systemtic Name: 2-[[2-(butylsulfonylamino)-1-(3-methoxy-4-phenylmethoxy-phenyl)ethyl]amino]benzenecarboximidamide Openeye Name: 2-[[1-(4-benzyloxy-3-methoxy-phenyl)-2-(butylsulfonylamino)ethyl]amino]benzamidine CAS Name: 2-[[2-(butylsulfonylamino)-1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]amino]benzenecarboximidamide IUPAC Name: 2-[[2-(butylsulfonylamino)-1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]amino]benzenecarboximidamide Traditional Name: 2-[[1-(4-benzoxy-3-methoxy-phenyl)-2-(butylsulfonylamino)ethyl]amino]benzamidine Formula: C27H34N4O4S MolecularWeight: 510.64826

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NCC(C1=CC(=C(C=C1)OCC2=CC=CC=C2)OC)NC3=CC=CC=C3C(=N)N

Isomeric SMILES

CCCCS(=O)(=O)NCC(C1=CC(=C(C=C1)OCC2=CC=CC=C2)OC)NC3=CC=CC=C3C(=N)N

InChI

InChI=1S/C27H34N4O4S/c1-3-4-16-36(32,33)30-18-24(31-23-13-9-8-12-22(23)27(28)29)21-14-15-25(26(17-21)34-2)35-19-20-10-6-5-7-11-20/h5-15,17,24,30-31H,3-4,16,18-19H2,1-2H3,(H3,28,29)