4-[1-(4-methylphenyl)sulfonylindol-3-yl]-1-(3,3,5-trimethylazepan-1-yl)butan-1-one

Systemtic Name: 4-[1-(4-methylphenyl)sulfonylindol-3-yl]-1-(3,3,5-trimethylazepan-1-yl)butan-1-one Openeye Name: 4-[1-(p-tolylsulfonyl)indol-3-yl]-1-(3,3,5-trimethylazepan-1-yl)butan-1-one CAS Name: 4-[1-(4-methylphenyl)sulfonyl-3-indolyl]-1-(3,3,5-trimethyl-1-azepanyl)-1-butanone IUPAC Name: 4-[1-(4-methylphenyl)sulfonylindol-3-yl]-1-(3,3,5-trimethylazepan-1-yl)butan-1-one Traditional Name: 4-(1-tosylindol-3-yl)-1-(3,3,5-trimethylazepan-1-yl)butan-1-one Formula: C28H36N2O3S MolecularWeight: 480.66204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC(C1)(C)C)C(=O)CCCC2=CN(C3=CC=CC=C32)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1CCN(CC(C1)(C)C)C(=O)CCCC2=CN(C3=CC=CC=C32)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C28H36N2O3S/c1-21-12-14-24(15-13-21)34(32,33)30-19-23(25-9-5-6-10-26(25)30)8-7-11-27(31)29-17-16-22(2)18-28(3,4)20-29/h5-6,9-10,12-15,19,22H,7-8,11,16-18,20H2,1-4H3