3-butyl-1-(phenylsulfonyl)-1-azacyclotridecan-2-one

Systemtic Name: 3-butyl-1-(phenylsulfonyl)-1-azacyclotridecan-2-one Openeye Name: 1-(benzenesulfonyl)-3-butyl-azacyclotridecan-2-one CAS Name: 1-(benzenesulfonyl)-3-butyl-azacyclotridecan-2-one IUPAC Name: 1-(benzenesulfonyl)-3-butyl-azacyclotridecan-2-one Traditional Name: 1-besyl-3-butyl-azacyclotridecan-2-one Formula: C22H35NO3S MolecularWeight: 393.5832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCCCCCCCCCN(C1=O)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCC1CCCCCCCCCCN(C1=O)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C22H35NO3S/c1-2-3-15-20-16-11-8-6-4-5-7-9-14-19-23(22(20)24)27(25,26)21-17-12-10-13-18-21/h10,12-13,17-18,20H,2-9,11,14-16,19H2,1H3