2-[[4-(azepan-1-ylsulfonyl)phenyl]amino]-N-tert-butyl-2-(3,4,5-trimethoxyphenyl)ethanamide

Systemtic Name: 2-[[4-(azepan-1-ylsulfonyl)phenyl]amino]-N-tert-butyl-2-(3,4,5-trimethoxyphenyl)ethanamide Openeye Name: 2-[4-(azepan-1-ylsulfonyl)anilino]-N-tert-butyl-2-(3,4,5-trimethoxyphenyl)acetamide CAS Name: 2-[4-(1-azepanylsulfonyl)anilino]-N-tert-butyl-2-(3,4,5-trimethoxyphenyl)acetamide IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)anilino]-N-tert-butyl-2-(3,4,5-trimethoxyphenyl)acetamide Traditional Name: 2-[4-(azepan-1-ylsulfonyl)anilino]-N-tert-butyl-2-(3,4,5-trimethoxyphenyl)acetamide Formula: C27H39N3O6S MolecularWeight: 533.68006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C(C1=CC(=C(C(=C1)OC)OC)OC)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC(C)(C)NC(=O)C(C1=CC(=C(C(=C1)OC)OC)OC)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C27H39N3O6S/c1-27(2,3)29-26(31)24(19-17-22(34-4)25(36-6)23(18-19)35-5)28-20-11-13-21(14-12-20)37(32,33)30-15-9-7-8-10-16-30/h11-14,17-18,24,28H,7-10,15-16H2,1-6H3,(H,29,31)