1-[4-[ethyl-[1-[4-(2-methylpropylsulfonyl)phenyl]propan-2-yl]amino]butyl]azepan-2-one

Systemtic Name: 1-[4-[ethyl-[1-[4-(2-methylpropylsulfonyl)phenyl]propan-2-yl]amino]butyl]azepan-2-one Openeye Name: 1-[4-[ethyl-[2-(4-isobutylsulfonylphenyl)-1-methyl-ethyl]amino]butyl]azepan-2-one CAS Name: 1-[4-[ethyl-[1-[4-(2-methylpropylsulfonyl)phenyl]propan-2-yl]amino]butyl]-2-azepanone IUPAC Name: 1-[4-[ethyl-[1-[4-(2-methylpropylsulfonyl)phenyl]propan-2-yl]amino]butyl]azepan-2-one Traditional Name: 1-[4-[ethyl-[2-(4-isobutylsulfonylphenyl)-1-methyl-ethyl]amino]butyl]azepan-2-one Formula: C25H42N2O3S MolecularWeight: 450.67758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCCN1CCCCCC1=O)C(C)CC2=CC=C(C=C2)S(=O)(=O)CC(C)C

Isomeric SMILES

CCN(CCCCN1CCCCCC1=O)C(C)CC2=CC=C(C=C2)S(=O)(=O)CC(C)C

InChI

InChI=1S/C25H42N2O3S/c1-5-26(16-9-10-18-27-17-8-6-7-11-25(27)28)22(4)19-23-12-14-24(15-13-23)31(29,30)20-21(2)3/h12-15,21-22H,5-11,16-20H2,1-4H3