N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-methyl-pentanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-methyl-pentanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-methyl-pentanamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-2-methylpentanamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-methylpentanamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-methyl-valeramide Formula: C19H30N2O4S MolecularWeight: 382.5175

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCCC2)OC

Isomeric SMILES

CCCC(C)C(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCCC2)OC

InChI

InChI=1S/C19H30N2O4S/c1-4-9-15(2)19(22)20-17-14-16(10-11-18(17)25-3)26(23,24)21-12-7-5-6-8-13-21/h10-11,14-15H,4-9,12-13H2,1-3H3,(H,20,22)