N-[2-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]ethyl]-2-methyl-propanamide

Systemtic Name: N-[2-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]ethyl]-2-methyl-propanamide Openeye Name: N-[2-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]ethyl]-2-methyl-propanamide CAS Name: N-[2-[[3-[4-(1-azepanylsulfonyl)phenyl]-1-oxopropyl]amino]ethyl]-2-methylpropanamide IUPAC Name: N-[2-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]ethyl]-2-methylpropanamide Traditional Name: N-[2-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]ethyl]-2-methyl-propionamide Formula: C21H33N3O4S MolecularWeight: 423.56942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NCCNC(=O)CCC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CC(C)C(=O)NCCNC(=O)CCC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C21H33N3O4S/c1-17(2)21(26)23-14-13-22-20(25)12-9-18-7-10-19(11-8-18)29(27,28)24-15-5-3-4-6-16-24/h7-8,10-11,17H,3-6,9,12-16H2,1-2H3,(H,22,25)(H,23,26)