2-(3-carbamimidoylphenoxy)-N-[4-(2-methylsulfonylphenyl)phenyl]hexanamide

Systemtic Name: 2-(3-carbamimidoylphenoxy)-N-[4-(2-methylsulfonylphenyl)phenyl]hexanamide Openeye Name: 2-(3-carbamimidoylphenoxy)-N-[4-(2-methylsulfonylphenyl)phenyl]hexanamide CAS Name: 2-(3-carbamimidoylphenoxy)-N-[4-(2-methylsulfonylphenyl)phenyl]hexanamide IUPAC Name: 2-(3-carbamimidoylphenoxy)-N-[4-(2-methylsulfonylphenyl)phenyl]hexanamide Traditional Name: 2-(3-amidinophenoxy)-N-[4-(2-mesylphenyl)phenyl]hexanamide Formula: C26H29N3O4S MolecularWeight: 479.59116

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NC1=CC=C(C=C1)C2=CC=CC=C2S(=O)(=O)C)OC3=CC=CC(=C3)C(=N)N

Isomeric SMILES

CCCCC(C(=O)NC1=CC=C(C=C1)C2=CC=CC=C2S(=O)(=O)C)OC3=CC=CC(=C3)C(=N)N

InChI

InChI=1S/C26H29N3O4S/c1-3-4-11-23(33-21-9-7-8-19(17-21)25(27)28)26(30)29-20-15-13-18(14-16-20)22-10-5-6-12-24(22)34(2,31)32/h5-10,12-17,23H,3-4,11H2,1-2H3,(H3,27,28)(H,29,30)