N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(2-phenylphenoxy)ethanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(2-phenylphenoxy)ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(2-phenylphenoxy)acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-2-(2-phenylphenoxy)acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-(2-phenylphenoxy)acetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(2-phenylphenoxy)acetamide Formula: C27H30N2O5S MolecularWeight: 494.6025

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)COC3=CC=CC=C3C4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)COC3=CC=CC=C3C4=CC=CC=C4

InChI

InChI=1S/C27H30N2O5S/c1-33-26-16-15-22(35(31,32)29-17-9-2-3-10-18-29)19-24(26)28-27(30)20-34-25-14-8-7-13-23(25)21-11-5-4-6-12-21/h4-8,11-16,19H,2-3,9-10,17-18,20H2,1H3,(H,28,30)