N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[2-(phenylmethyl)phenoxy]ethanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[2-(phenylmethyl)phenoxy]ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(2-benzylphenoxy)acetamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-2-[2-(phenylmethyl)phenoxy]acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(2-benzylphenoxy)acetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(2-benzylphenoxy)acetamide Formula: C27H30N2O4S MolecularWeight: 478.6031

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC3=CC=CC=C3CC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC3=CC=CC=C3CC4=CC=CC=C4

InChI

InChI=1S/C27H30N2O4S/c30-27(21-33-26-16-7-6-13-23(26)19-22-11-4-3-5-12-22)28-24-14-10-15-25(20-24)34(31,32)29-17-8-1-2-9-18-29/h3-7,10-16,20H,1-2,8-9,17-19,21H2,(H,28,30)