N-[3-(azepan-1-ylsulfonyl)phenyl]-4-tert-butyl-benzamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-tert-butyl-benzamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-tert-butyl-benzamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-4-tert-butylbenzamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-tert-butylbenzamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-tert-butyl-benzamide Formula: C23H30N2O3S MolecularWeight: 414.5609

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O3S/c1-23(2,3)19-13-11-18(12-14-19)22(26)24-20-9-8-10-21(17-20)29(27,28)25-15-6-4-5-7-16-25/h8-14,17H,4-7,15-16H2,1-3H3,(H,24,26)