N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2,4-ditert-butylphenoxy)ethanamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2,4-ditert-butylphenoxy)ethanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2,4-ditert-butylphenoxy)acetamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-(2,4-ditert-butylphenoxy)acetamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2,4-ditert-butylphenoxy)acetamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2,4-ditert-butylphenoxy)acetamide Formula: C28H40N2O4S MolecularWeight: 500.6932

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)C(C)(C)C

InChI

InChI=1S/C28H40N2O4S/c1-27(2,3)21-11-16-25(24(19-21)28(4,5)6)34-20-26(31)29-22-12-14-23(15-13-22)35(32,33)30-17-9-7-8-10-18-30/h11-16,19H,7-10,17-18,20H2,1-6H3,(H,29,31)