1-[1-(4-methylphenyl)sulfonylindol-3-yl]dodecan-1-one

Systemtic Name: 1-[1-(4-methylphenyl)sulfonylindol-3-yl]dodecan-1-one Openeye Name: 1-[1-(p-tolylsulfonyl)indol-3-yl]dodecan-1-one CAS Name: 1-[1-(4-methylphenyl)sulfonyl-3-indolyl]-1-dodecanone IUPAC Name: 1-[1-(4-methylphenyl)sulfonylindol-3-yl]dodecan-1-one Traditional Name: 1-(1-tosylindol-3-yl)dodecan-1-one Formula: C27H35NO3S MolecularWeight: 453.6367

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)C1=CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCCCCCCCCC(=O)C1=CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C27H35NO3S/c1-3-4-5-6-7-8-9-10-11-16-27(29)25-21-28(26-15-13-12-14-24(25)26)32(30,31)23-19-17-22(2)18-20-23/h12-15,17-21H,3-11,16H2,1-2H3