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

Systemtic Name: 2-(3-carbamimidoylphenoxy)-N-[4-(2-methylsulfonylphenyl)phenyl]heptanamide Openeye Name: 2-(3-carbamimidoylphenoxy)-N-[4-(2-methylsulfonylphenyl)phenyl]heptanamide CAS Name: 2-(3-carbamimidoylphenoxy)-N-[4-(2-methylsulfonylphenyl)phenyl]heptanamide IUPAC Name: 2-(3-carbamimidoylphenoxy)-N-[4-(2-methylsulfonylphenyl)phenyl]heptanamide Traditional Name: 2-(3-amidinophenoxy)-N-[4-(2-mesylphenyl)phenyl]enanthamide Formula: C27H31N3O4S MolecularWeight: 493.61774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31N3O4S/c1-3-4-5-12-24(34-22-10-8-9-20(18-22)26(28)29)27(31)30-21-16-14-19(15-17-21)23-11-6-7-13-25(23)35(2,32)33/h6-11,13-18,24H,3-5,12H2,1-2H3,(H3,28,29)(H,30,31)