N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(3-butoxypropylamino)ethanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(3-butoxypropylamino)ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(3-butoxypropylamino)acetamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-(3-butoxypropylamino)acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(3-butoxypropylamino)acetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(3-butoxypropylamino)acetamide Formula: C22H37N3O4S MolecularWeight: 439.61188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCCNCC(=O)NC1=CC(=C(C=C1)C)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CCCCOCCCNCC(=O)NC1=CC(=C(C=C1)C)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C22H37N3O4S/c1-3-4-15-29-16-9-12-23-18-22(26)24-20-11-10-19(2)21(17-20)30(27,28)25-13-7-5-6-8-14-25/h10-11,17,23H,3-9,12-16,18H2,1-2H3,(H,24,26)